2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole

C156H99N9OS — CID 159767383

IUPAC2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5oc6ccccc6c45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C54H37N3.C51H31N3O.C51H31N3S/c1-53(2)44-26-14-12-25-41(44)49-50(55-52(56-51(49)53)57-47-28-16-13-24-40(47)43-31-34-17-9-10-18-35(34)33-48(43)57)36-29-30-46-42(32-36)39-23-11-15-27-45(39)54(46,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)48-47-38-24-11-14-29-45(38)55-49(47)53-50(52-48)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-47-39-23-11-14-26-46(39)55-49(47)53-50(52-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54/h3-33H,1-2H3;2*1-31H
InChIKeyNFRFCBAATKCNRV-UHFFFAOYSA-N
MW2147.64 g/mol
LogP38.84
Rot. Bonds12

About 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole

2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole (PubChem CID 159767383) has the molecular formula C156H99N9OS and a molecular weight of 2147.64 g/mol. Its IUPAC name is 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
PubChem CID159767383
Molecular FormulaC156H99N9OS
Molecular Weight2147.64 g/mol
Exact Mass2145.77
IUPAC Name2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5oc6ccccc6c45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5sc6ccccc6c45)ccc32)cc1
InChIInChI=1S/C54H37N3.C51H31N3O.C51H31N3S/c1-53(2)44-26-14-12-25-41(44)49-50(55-52(56-51(49)53)57-47-28-16-13-24-40(47)43-31-34-17-9-10-18-35(34)33-48(43)57)36-29-30-46-42(32-36)39-23-11-15-27-45(39)54(46,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)48-47-38-24-11-14-29-45(38)55-49(47)53-50(52-48)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-47-39-23-11-14-26-46(39)55-49(47)53-50(52-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54/h3-33H,1-2H3;2*1-31H
InChIKeyNFRFCBAATKCNRV-UHFFFAOYSA-N
XLogP38.84
TPSA105.27 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002147.64
LogP ≤ 538.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole with MolForge

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Related Compounds

2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine
CID 153453065
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-[1]benzothiolo[2,3-d]pyrimidine;5-(2-dibenzothiophen-2-yl-9,9-dimethylindeno[2,1-d]pyrimidin-4-yl)benzo[b]carbazole
CID 157150398
2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146392122
2-[26-[2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-6-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-13-yl]-4-phenyl-6-[13-(4-phenyl-[1]benzothiolo[2,3-d]pyrimidin-2-yl)-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-26-yl]-[1]benzofuro[2,3-d]pyrimidine
CID 166821219
2-benzo[b]carbazol-5-yl-4-(9,9-dimethylfluoren-2-yl)-[1]benzothiolo[2,3-d]pyrimidine
CID 146391893
4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-3-yl)-[1]benzofuro[2,3-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[3,2-d]pyrimidine;4-benzo[b]carbazol-5-yl-2-(9,9-diphenylfluoren-4-yl)-[1]benzothiolo[3,2-d]pyrimidine;5-[2-(9,9-diphenylfluoren-4-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole;methane
CID 160818267
5-[9,9-dimethyl-4-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole
CID 146392109
2-benzo[b]carbazol-5-yl-4-dibenzothiophen-3-yl-7-naphthalen-2-yl-[1]benzofuro[2,3-d]pyrimidine;3-(2-benzo[b]carbazol-5-yl-9,9-dimethyl-7-phenylindeno[2,1-d]pyrimidin-4-yl)benzonitrile;2-benzo[b]carbazol-5-yl-6-(2,3,4,5,6-pentadeuteriophenyl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 158511661
2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-4-phenyl-[1]benzothiolo[2,3-d]pyrimidine
CID 130333603
4-(9,9-dimethylfluoren-3-yl)-2-[2-ethenyl-3-(2-methylphenyl)benzo[f]indol-1-yl]-[1]benzothiolo[2,3-d]pyrimidine
CID 167248099
7-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 130333620
2-(13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24,26,28-tetradecaen-13-yl)-4-[3-phenyl-5-[4-[13-[4-(3-phenylphenyl)-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.05,10.018,23.024,29]nonacosa-1(17),2(14),3,5,7,9,11,15,18,20,22,24(29),25,27-tetradecaen-25-yl]phenyl]phenyl]-[1]benzofuro[2,3-d]pyrimidine
CID 166821433

Frequently Asked Questions

What is the IUPAC name of 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole?
The IUPAC name of 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole (CID 159767383) is 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole?
The canonical SMILES for 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2c(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)nc21.c1ccc(C2(c3ccccc3)c3ccccc3-c3c(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5oc6ccccc6c45)cccc32)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc(-c4nc(-n5c6ccccc6c6cc7ccccc7cc65)nc5sc6ccccc6c45)ccc32)cc1.
What is the InChIKey of 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole?
The InChIKey is NFRFCBAATKCNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N3.C51H31N3O.C51H31N3S/c1-53(2)44-26-14-12-25-41(44)49-50(55-52(56-51(49)53)57-47-28-16-13-24-40(47)43-31-34-17-9-10-18-35(34)33-48(43)57)36-29-30-46-42(32-36)39-23-11-15-27-45(39)54(46,37-19-5-3-6-20-37)38-21-7-4-8-22-38;1-3-18-34(19-4-1)51(35-20-5-2-6-21-35)41-26-12-9-23-37(41)46-39(25-15-27-42(46)51)48-47-38-24-11-14-29-45(38)55-49(47)53-50(52-48)54-43-28-13-10-22-36(43)40-30-32-16-7-8-17-33(32)31-44(40)54;1-3-17-35(18-4-1)51(36-19-5-2-6-20-36)42-24-12-9-21-37(42)40-30-34(27-28-43(40)51)48-47-39-23-11-14-26-46(39)55-49(47)53-50(52-48)54-44-25-13-10-22-38(44)41-29-32-15-7-8-16-33(32)31-45(41)54/h3-33H,1-2H3;2*1-31H.
What are the key properties of 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole?
2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole has a molecular weight of 2147.64 g/mol, XLogP of 38.84, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-4-yl)-[1]benzofuro[2,3-d]pyrimidine;2-benzo[b]carbazol-5-yl-4-(9,9-diphenylfluoren-3-yl)-[1]benzothiolo[2,3-d]pyrimidine;5-[4-(9,9-diphenylfluoren-3-yl)-9,9-dimethylindeno[2,1-d]pyrimidin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 159767383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).