12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene

C52H32N2O — CID 134252619

IUPAC12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc(-n3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-22-27-38(28-23-34)54-50-39-15-5-4-14-35(39)26-31-43(50)49-51(54)44(32-45-42-18-8-11-21-48(42)55-52(45)49)36-24-29-37(30-25-36)53-46-19-9-6-16-40(46)41-17-7-10-20-47(41)53/h1-32H
InChIKeyZFWCVGVXBDAZKB-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene

12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene (PubChem CID 134252619) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene.

Molecular Properties

Compound Name12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
PubChem CID134252619
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
SMILESc1ccc(-c2ccc(-n3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1
InChIInChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-22-27-38(28-23-34)54-50-39-15-5-4-14-35(39)26-31-43(50)49-51(54)44(32-45-42-18-8-11-21-48(42)55-52(45)49)36-24-29-37(30-25-36)53-46-19-9-6-16-40(46)41-17-7-10-20-47(41)53/h1-32H
InChIKeyZFWCVGVXBDAZKB-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene with MolForge

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Related Compounds

14-(4-carbazol-9-ylphenyl)-12-(4-phenylphenyl)-23-oxa-12-azahexacyclo[11.11.0.02,11.03,8.016,24.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15,17,19,21-undecaene
CID 126656691
5-naphthalen-2-yl-6-(9-phenylcarbazol-2-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252386
N,N-diphenyl-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaen-12-amine
CID 134252614
5-(4-carbazol-9-ylphenyl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 134252605
N-[4-(5-naphthalen-2-yl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]-N,4-diphenylaniline
CID 134252470
5-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole
CID 126656557
19-(4-phenylphenyl)-4-oxa-19-azaheptacyclo[15.11.0.02,14.03,11.05,10.018,26.020,25]octacosa-1(17),2(14),3(11),5,7,9,12,15,18(26),20,22,24,27-tridecaene
CID 142289915
N,4-diphenyl-N-[4-[4-(5-phenyl-[1]benzofuro[3,2-c]carbazol-6-yl)phenyl]phenyl]aniline
CID 134252450
12-[3-(4-cyclohexa-1,5-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-14-(9-phenylcarbazol-3-yl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene
CID 126656525
14-(4-dibenzofuran-4-ylphenyl)-3-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 147149838
3-(4-dibenzofuran-4-ylphenyl)-14-phenyl-3,14-diazahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1(13),2(10),4,6,8,11,15(24),16,18,20,22-undecaene
CID 126580193
8-(9-dibenzofuran-3-ylcarbazol-3-yl)-11-(4-phenylphenyl)benzo[a]carbazole
CID 167243435

Frequently Asked Questions

What is the IUPAC name of 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene?
The IUPAC name of 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene (CID 134252619) is 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene.
What is the SMILES notation for 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene?
The canonical SMILES for 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene is c1ccc(-c2ccc(-n3c4c(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc5c6ccccc6oc5c4c4ccc5ccccc5c43)cc2)cc1.
What is the InChIKey of 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene?
The InChIKey is ZFWCVGVXBDAZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-12-33(13-3-1)34-22-27-38(28-23-34)54-50-39-15-5-4-14-35(39)26-31-43(50)49-51(54)44(32-45-42-18-8-11-21-48(42)55-52(45)49)36-24-29-37(30-25-36)53-46-19-9-6-16-40(46)41-17-7-10-20-47(41)53/h1-32H.
What are the key properties of 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene?
12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(4-carbazol-9-ylphenyl)-14-(4-phenylphenyl)-3-oxa-14-azahexacyclo[11.11.0.02,10.04,9.015,24.016,21]tetracosa-1,4,6,8,10,12,15(24),16,18,20,22-undecaene is sourced from PubChem (CID 134252619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).