4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene

C52H32N2O — CID 167138057

IUPAC4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c5cccc6c5c(cc43)-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3O6)c2)cc1
InChIInChI=1S/C52H32N2O/c1-3-13-33(14-4-1)34-15-11-18-38(29-34)54-46-23-10-8-20-40(46)51-41-21-12-24-50-52(41)44(32-48(51)54)43-31-36(26-28-49(43)55-50)35-25-27-47-42(30-35)39-19-7-9-22-45(39)53(47)37-16-5-2-6-17-37/h1-32H
InChIKeyJFQBHDAOQRTDOB-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.14
Rot. Bonds4

About 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene

4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene (PubChem CID 167138057) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene.

Molecular Properties

Compound Name4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
PubChem CID167138057
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
SMILESc1ccc(-c2cccc(-n3c4ccccc4c4c5cccc6c5c(cc43)-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3O6)c2)cc1
InChIInChI=1S/C52H32N2O/c1-3-13-33(14-4-1)34-15-11-18-38(29-34)54-46-23-10-8-20-40(46)51-41-21-12-24-50-52(41)44(32-48(51)54)43-31-36(26-28-49(43)55-50)35-25-27-47-42(30-35)39-19-7-9-22-45(39)53(47)37-16-5-2-6-17-37/h1-32H
InChIKeyJFQBHDAOQRTDOB-UHFFFAOYSA-N
XLogP14.14
TPSA19.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene with MolForge

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Related Compounds

21-phenyl-18-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15(20),16,18,22-undecaene
CID 170448253
21-naphthalen-1-yl-17-(9-phenylcarbazol-3-yl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2,4,6,9,11,13(24),14(22),15(20),16,18-undecaene
CID 167137798
21-naphthalen-2-yl-5-[3-(3-phenylphenyl)carbazol-9-yl]-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 170448395
9-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300978
6-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-21-phenyl-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167137909
21-phenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 167138118
5-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(3-phenylphenyl)phenyl]-9-azahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13,15,17,19,21-undecaene
CID 134300976
21-[3-(2,7-diphenylcarbazol-9-yl)phenyl]-2-oxa-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3,5,7,9,11,13,15,17,19,22-undecaene
CID 167138237
21-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 167137882
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The IUPAC name of 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene (CID 167138057) is 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene.
What is the SMILES notation for 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The canonical SMILES for 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene is c1ccc(-c2cccc(-n3c4ccccc4c4c5cccc6c5c(cc43)-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3O6)c2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
The InChIKey is JFQBHDAOQRTDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-3-13-33(14-4-1)34-15-11-18-38(29-34)54-46-23-10-8-20-40(46)51-41-21-12-24-50-52(41)44(32-48(51)54)43-31-36(26-28-49(43)55-50)35-25-27-47-42(30-35)39-19-7-9-22-45(39)53(47)37-16-5-2-6-17-37/h1-32H.
What are the key properties of 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene?
4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene has a molecular weight of 700.84 g/mol, XLogP of 14.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-phenylcarbazol-3-yl)-21-(3-phenylphenyl)-8-oxa-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene is sourced from PubChem (CID 167138057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).