9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile

C60H35N3 — CID 129176292

IUPAC9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4cc5c(-c6ccccc6)nc6cc7ccccc7cc6c5c5ccccc45)c4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C60H35N3/c61-36-37-27-29-55-49(31-37)50-33-41(28-30-56(50)63(55)42-19-5-2-6-20-42)57-45-23-11-13-25-47(45)58(48-26-14-12-24-46(48)57)51-35-53-59(44-22-10-9-21-43(44)51)52-32-39-17-7-8-18-40(39)34-54(52)62-60(53)38-15-3-1-4-16-38/h1-35H
InChIKeyRPHJAEVAQJSTPW-UHFFFAOYSA-N
MW797.96 g/mol
LogP15.97
Rot. Bonds4

About 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile

9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile (PubChem CID 129176292) has the molecular formula C60H35N3 and a molecular weight of 797.96 g/mol. Its IUPAC name is 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile.

Molecular Properties

Compound Name9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile
PubChem CID129176292
Molecular FormulaC60H35N3
Molecular Weight797.96 g/mol
Exact Mass797.28
IUPAC Name9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4cc5c(-c6ccccc6)nc6cc7ccccc7cc6c5c5ccccc45)c4ccccc34)ccc1n2-c1ccccc1
InChIInChI=1S/C60H35N3/c61-36-37-27-29-55-49(31-37)50-33-41(28-30-56(50)63(55)42-19-5-2-6-20-42)57-45-23-11-13-25-47(45)58(48-26-14-12-24-46(48)57)51-35-53-59(44-22-10-9-21-43(44)51)52-32-39-17-7-8-18-40(39)34-54(52)62-60(53)38-15-3-1-4-16-38/h1-35H
InChIKeyRPHJAEVAQJSTPW-UHFFFAOYSA-N
XLogP15.97
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.96
LogP ≤ 515.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile with MolForge

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Related Compounds

9,9-dimethyl-7-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]fluorene-2-carbonitrile
CID 129183053
9-phenyl-6-(22-phenyl-6,9,21-triazapentacyclo[12.8.0.02,7.08,13.015,20]docosa-1,3,5,7,9,11,13,15(20),16,18,21-undecaen-18-yl)carbazole-3-carbonitrile
CID 129311459
9-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)anthracen-9-yl]-12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaene
CID 129176316
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 118944275
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-3-carbonitrile
CID 118152758
6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
CID 165376102
9-[3-[2-cyano-5-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3,6-dicarbonitrile
CID 167336223
9-phenyl-6-[10-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)anthracen-9-yl]carbazole-3-carbonitrile
CID 122502970
4-[6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]benzo[k]phenanthridin-3-yl]benzonitrile;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-phenylbenzo[k]phenanthridine;6-[4-(6-isocyano-9-phenylcarbazol-3-yl)phenyl]-3-pyridin-3-ylbenzo[k]phenanthridine
CID 160501974
6-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-(4-phenylphenyl)carbazole-3-carbonitrile
CID 118152961
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile?
The IUPAC name of 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile (CID 129176292) is 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile.
What is the SMILES notation for 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile?
The canonical SMILES for 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3c4ccccc4c(-c4cc5c(-c6ccccc6)nc6cc7ccccc7cc6c5c5ccccc45)c4ccccc34)ccc1n2-c1ccccc1.
What is the InChIKey of 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile?
The InChIKey is RPHJAEVAQJSTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H35N3/c61-36-37-27-29-55-49(31-37)50-33-41(28-30-56(50)63(55)42-19-5-2-6-20-42)57-45-23-11-13-25-47(45)58(48-26-14-12-24-46(48)57)51-35-53-59(44-22-10-9-21-43(44)51)52-32-39-17-7-8-18-40(39)34-54(52)62-60(53)38-15-3-1-4-16-38/h1-35H.
What are the key properties of 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile?
9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile has a molecular weight of 797.96 g/mol, XLogP of 15.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-6-[10-(12-phenyl-13-azapentacyclo[12.8.0.02,11.03,8.016,21]docosa-1(22),2(11),3,5,7,9,12,14,16,18,20-undecaen-9-yl)anthracen-9-yl]carbazole-3-carbonitrile is sourced from PubChem (CID 129176292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).