11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

C63H42N4O — CID 126569250

IUPAC11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCC1(C)c2ccc3c(c2Oc2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C63H42N4O/c1-63(2)49-33-34-57-60(48-26-8-14-32-55(48)67(57)42-20-16-18-40(38-42)65-52-29-11-5-23-45(52)46-24-6-12-30-53(46)65)62(49)68-58-36-35-56-59(61(58)63)47-25-7-13-31-54(47)66(56)41-19-15-17-39(37-41)64-50-27-9-3-21-43(50)44-22-4-10-28-51(44)64/h3-38H,1-2H3
InChIKeySMBLTGFAZNTAPI-UHFFFAOYSA-N
MW871.06 g/mol
LogP16.51
Rot. Bonds4

About 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene

11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (PubChem CID 126569250) has the molecular formula C63H42N4O and a molecular weight of 871.06 g/mol. Its IUPAC name is 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.

Molecular Properties

Compound Name11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
PubChem CID126569250
Molecular FormulaC63H42N4O
Molecular Weight871.06 g/mol
Exact Mass870.34
IUPAC Name11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
SMILESCC1(C)c2ccc3c(c2Oc2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C63H42N4O/c1-63(2)49-33-34-57-60(48-26-8-14-32-55(48)67(57)42-20-16-18-40(38-42)65-52-29-11-5-23-45(52)46-24-6-12-30-53(46)65)62(49)68-58-36-35-56-59(61(58)63)47-25-7-13-31-54(47)66(56)41-19-15-17-39(37-41)64-50-27-9-3-21-43(50)44-22-4-10-28-51(44)64/h3-38H,1-2H3
InChIKeySMBLTGFAZNTAPI-UHFFFAOYSA-N
XLogP16.51
TPSA28.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.06
LogP ≤ 516.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene with MolForge

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Related Compounds

5-(3-carbazol-9-ylphenyl)-12,12-dimethylindeno[1,2-c]carbazole
CID 118502372
11,25-bis(3-carbazol-9-ylphenyl)-2,16-dimethyl-2,16-diphenyl-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene
CID 126569189
5,19-di(dibenzofuran-2-yl)-16,16-dimethyl-2-oxa-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene
CID 126566676
2,10-di(carbazol-9-yl)-12,12-dimethyl-5-phenylindeno[1,2-c]carbazole
CID 59147145
3-(4-carbazol-9-ylcarbazol-9-yl)-9-(3-carbazol-9-ylphenyl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-yl-9,9-dimethylfluoren-3-yl)carbazole;4-carbazol-9-yl-9-(6-carbazol-9-ylphenanthren-3-yl)carbazole
CID 158770389
5'-dibenzofuran-2-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,8'-chromeno[3,2-c]carbazole]
CID 134351523
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(9,9-dimethylfluoren-3-yl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-phenyl-14-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158410726
9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
5-(3-carbazol-9-ylphenyl)-11-[3-[12-(3-carbazol-9-ylphenyl)indolo[3,2-c]carbazol-5-yl]phenyl]indolo[3,2-b]carbazole
CID 88917489
14-[3-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 67952738
6-[3-(9,9-dimethylacridin-10-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole
CID 118315296

Frequently Asked Questions

What is the IUPAC name of 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The IUPAC name of 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene (CID 126569250) is 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene.
What is the SMILES notation for 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The canonical SMILES for 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is CC1(C)c2ccc3c(c2Oc2ccc4c(c21)c1ccccc1n4-c1cccc(-n2c4ccccc4c4ccccc42)c1)c1ccccc1n3-c1cccc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
The InChIKey is SMBLTGFAZNTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4O/c1-63(2)49-33-34-57-60(48-26-8-14-32-55(48)67(57)42-20-16-18-40(38-42)65-52-29-11-5-23-45(52)46-24-6-12-30-53(46)65)62(49)68-58-36-35-56-59(61(58)63)47-25-7-13-31-54(47)66(56)41-19-15-17-39(37-41)64-50-27-9-3-21-43(50)44-22-4-10-28-51(44)64/h3-38H,1-2H3.
What are the key properties of 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene?
11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene has a molecular weight of 871.06 g/mol, XLogP of 16.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11,25-bis(3-carbazol-9-ylphenyl)-16,16-dimethyl-2-oxa-11,25-diazaheptacyclo[15.11.0.03,15.04,12.05,10.018,26.019,24]octacosa-1(17),3(15),4(12),5,7,9,13,18(26),19,21,23,27-dodecaene is sourced from PubChem (CID 126569250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).