5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one

C177H126N6O10 — CID 162001622

IUPAC5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one
SMILESCC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)c(=O)oc31.COc1ccc2cc(-c3ccc(Oc4ccccc4)cc3)c(=O)oc2c1.O=c1oc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2cc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.O=c1oc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2cc1-c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H40N2O2.C55H36N2O2.C37H34N2O2.C22H16O4/c66-63-53(45-21-28-51(29-22-45)64-58-31-24-46(41-13-5-1-6-14-41)35-54(58)55-36-47(25-32-59(55)64)42-15-7-2-8-16-42)39-50-23-30-52(40-62(50)67-63)65-60-33-26-48(43-17-9-3-10-18-43)37-56(60)57-38-49(27-34-61(57)65)44-19-11-4-12-20-44;58-55-51(41-25-28-45(29-26-41)56(46-30-23-37-11-1-3-15-42(37)33-46)52-21-9-17-39-13-5-7-19-49(39)52)35-44-27-32-48(36-54(44)59-55)57(47-31-24-38-12-2-4-16-43(38)34-47)53-22-10-18-40-14-6-8-20-50(40)53;1-36(2)17-19-38-20-18-37(3,4)32-33(38)29(36)22-24-21-28(35(40)41-34(24)32)23-13-15-25(16-14-23)39-30-11-7-5-9-26(30)27-10-6-8-12-31(27)39;1-24-19-12-9-16-13-20(22(23)26-21(16)14-19)15-7-10-18(11-8-15)25-17-5-3-2-4-6-17/h1-40H;1-36H;5-16,21-22H,17-20H2,1-4H3;2-14H,1H3
InChIKeyYSHFOSIPCHVKJF-UHFFFAOYSA-N
MW2496.99 g/mol
LogP45.32
Rot. Bonds20

About 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one

5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one (PubChem CID 162001622) has the molecular formula C177H126N6O10 and a molecular weight of 2496.99 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one
PubChem CID162001622
Molecular FormulaC177H126N6O10
Molecular Weight2496.99 g/mol
Exact Mass2494.95
IUPAC Name5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one
SMILESCC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)c(=O)oc31.COc1ccc2cc(-c3ccc(Oc4ccccc4)cc3)c(=O)oc2c1.O=c1oc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2cc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.O=c1oc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2cc1-c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1
InChIInChI=1S/C63H40N2O2.C55H36N2O2.C37H34N2O2.C22H16O4/c66-63-53(45-21-28-51(29-22-45)64-58-31-24-46(41-13-5-1-6-14-41)35-54(58)55-36-47(25-32-59(55)64)42-15-7-2-8-16-42)39-50-23-30-52(40-62(50)67-63)65-60-33-26-48(43-17-9-3-10-18-43)37-56(60)57-38-49(27-34-61(57)65)44-19-11-4-12-20-44;58-55-51(41-25-28-45(29-26-41)56(46-30-23-37-11-1-3-15-42(37)33-46)52-21-9-17-39-13-5-7-19-49(39)52)35-44-27-32-48(36-54(44)59-55)57(47-31-24-38-12-2-4-16-43(38)34-47)53-22-10-18-40-14-6-8-20-50(40)53;1-36(2)17-19-38-20-18-37(3,4)32-33(38)29(36)22-24-21-28(35(40)41-34(24)32)23-13-15-25(16-14-23)39-30-11-7-5-9-26(30)27-10-6-8-12-31(27)39;1-24-19-12-9-16-13-20(22(23)26-21(16)14-19)15-7-10-18(11-8-15)25-17-5-3-2-4-6-17/h1-40H;1-36H;5-16,21-22H,17-20H2,1-4H3;2-14H,1H3
InChIKeyYSHFOSIPCHVKJF-UHFFFAOYSA-N
XLogP45.32
TPSA163.81 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds20
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002496.99
LogP ≤ 545.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one with MolForge

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Related Compounds

7-(diethylamino)-3-[4-[6-[3-[7-(diethylamino)-2-oxochromen-3-yl]phenyl]-9-phenylcarbazol-3-yl]phenyl]chromen-2-one;2-[6-(3-oxobenzo[f]chromen-2-yl)-9-phenylcarbazol-3-yl]benzo[f]chromen-3-one;10,10,16,16-tetramethyl-5-[4-[9-phenyl-6-[3-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]carbazol-3-yl]phenyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 160752011
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]naphthalen-2-amine
CID 170277583
8-tert-butyl-2-[6-(8-tert-butyl-3-oxobenzo[f]chromen-2-yl)naphthalen-2-yl]benzo[f]chromen-3-one;7-(diethylamino)-3-[6-[7-(diethylamino)-2-oxochromen-3-yl]naphthalen-2-yl]chromen-2-one;7-(diethylamino)-3-[4-[6-[4-[7-(diethylamino)-2-oxochromen-3-yl]phenyl]naphthalen-2-yl]phenyl]chromen-2-one;3-[6-(5,7-dimethoxy-2-oxochromen-3-yl)naphthalen-2-yl]-5,7-dimethoxychromen-2-one;10,10,16,16-tetramethyl-5-[6-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)naphthalen-2-yl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;10,10,16,16-tetramethyl-5-[4-[6-[4-(10,10,16,16-tetramethyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-5-yl)phenyl]naphthalen-2-yl]phenyl]-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one
CID 160960206
7-carbazol-9-yl-9,9-dimethyl-N-naphthalen-1-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 71038303
N-naphthalen-1-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;N-(4-phenoxyphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)-6-(4-triphenylgermylphenyl)carbazol-3-amine;9-phenyl-N-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-6-(4-triphenylgermylphenyl)carbazol-3-amine
CID 160633017
7-carbazol-9-yl-3-[4-(N-phenylanilino)phenyl]chromen-2-one
CID 58612989
N-(4-phenylphenyl)-N-[4-[9-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbazol-3-yl]phenyl]dibenzofuran-4-amine
CID 170279477
3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 121311226
N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;7-carbazol-9-yl-N,N-bis(4-dibenzofuran-2-ylphenyl)-9,9-dimethylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 162066199
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one (CID 162001622) is 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one is CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2ccc(-n4c5ccccc5c5ccccc54)cc2)c(=O)oc31.COc1ccc2cc(-c3ccc(Oc4ccccc4)cc3)c(=O)oc2c1.O=c1oc2cc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)ccc2cc1-c1ccc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc1.O=c1oc2cc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)ccc2cc1-c1ccc(N(c2ccc3ccccc3c2)c2cccc3ccccc23)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one?
The InChIKey is YSHFOSIPCHVKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N2O2.C55H36N2O2.C37H34N2O2.C22H16O4/c66-63-53(45-21-28-51(29-22-45)64-58-31-24-46(41-13-5-1-6-14-41)35-54(58)55-36-47(25-32-59(55)64)42-15-7-2-8-16-42)39-50-23-30-52(40-62(50)67-63)65-60-33-26-48(43-17-9-3-10-18-43)37-56(60)57-38-49(27-34-61(57)65)44-19-11-4-12-20-44;58-55-51(41-25-28-45(29-26-41)56(46-30-23-37-11-1-3-15-42(37)33-46)52-21-9-17-39-13-5-7-19-49(39)52)35-44-27-32-48(36-54(44)59-55)57(47-31-24-38-12-2-4-16-43(38)34-47)53-22-10-18-40-14-6-8-20-50(40)53;1-36(2)17-19-38-20-18-37(3,4)32-33(38)29(36)22-24-21-28(35(40)41-34(24)32)23-13-15-25(16-14-23)39-30-11-7-5-9-26(30)27-10-6-8-12-31(27)39;1-24-19-12-9-16-13-20(22(23)26-21(16)14-19)15-7-10-18(11-8-15)25-17-5-3-2-4-6-17/h1-40H;1-36H;5-16,21-22H,17-20H2,1-4H3;2-14H,1H3.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one?
5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one has a molecular weight of 2496.99 g/mol, XLogP of 45.32, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-10,10,16,16-tetramethyl-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraen-4-one;7-(3,6-diphenylcarbazol-9-yl)-3-[4-(3,6-diphenylcarbazol-9-yl)phenyl]chromen-2-one;7-methoxy-3-(4-phenoxyphenyl)chromen-2-one;7-[naphthalen-1-yl(naphthalen-2-yl)amino]-3-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]chromen-2-one is sourced from PubChem (CID 162001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).