15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C58H44N2 — CID 163836477

IUPAC15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1C=C(n2c3ccccc3c3cc4c(cc(-c5ccc6c(c5)c5c(n6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)C(C)CC=C5)c5ccccc54)cc32)C=CC1
InChIInChI=1S/C58H44N2/c1-37-15-13-21-45(29-37)59-55-26-12-11-24-49(55)54-36-52-44(35-57(54)59)34-51(47-22-9-10-23-48(47)52)41-27-28-56-53(33-41)50-25-14-16-38(2)58(50)60(56)46-31-42(39-17-5-3-6-18-39)30-43(32-46)40-19-7-4-8-20-40/h3-14,17-38H,15-16H2,1-2H3
InChIKeyOIEGZYNFCBPPLS-UHFFFAOYSA-N
MW769.00 g/mol
LogP16.00
Rot. Bonds5

About 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 163836477) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID163836477
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC Name15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESCC1C=C(n2c3ccccc3c3cc4c(cc(-c5ccc6c(c5)c5c(n6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)C(C)CC=C5)c5ccccc54)cc32)C=CC1
InChIInChI=1S/C58H44N2/c1-37-15-13-21-45(29-37)59-55-26-12-11-24-49(55)54-36-52-44(35-57(54)59)34-51(47-22-9-10-23-48(47)52)41-27-28-56-53(33-41)50-25-14-16-38(2)58(50)60(56)46-31-42(39-17-5-3-6-18-39)30-43(32-46)40-19-7-4-8-20-40/h3-14,17-38H,15-16H2,1-2H3
InChIKeyOIEGZYNFCBPPLS-UHFFFAOYSA-N
XLogP16.00
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 516.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Related Compounds

18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
CID 121355649
6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 166670155
20-[9-(3,5-diphenylphenyl)carbazol-3-yl]-10-(4-fluorophenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 90310204
3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 170206685
N-[4-[4-[[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]-naphthalen-1-ylamino]phenyl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine
CID 163878672
11-(1-methyl-1,2-dihydrocarbazol-9-yl)-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaene-2,20-dione
CID 123369795
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-yl-2-phenylphenyl)carbazole
CID 118531280
3-[9-[4-(3,5-dimethyl-3,4,5,6-tetrahydrotriphenylen-2-yl)-6-triphenylen-2-yl-1,3,5-triazin-2-yl]carbazol-3-yl]-9-(3,5-diphenylphenyl)carbazole
CID 163947328
N-[4-[9-(3-methylcyclohexa-1,5-dien-1-yl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135159348
9-[3,5-bis(4-phenylphenyl)phenyl]-3,6-bis(4-phenanthren-9-ylphenyl)carbazole
CID 118531170
9-(3,5-diphenylphenyl)-3-[8-[9-(3,5-diphenylphenyl)carbazol-3-yl]naphthalen-1-yl]carbazole
CID 169016186

Frequently Asked Questions

What is the IUPAC name of 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 163836477) is 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is CC1C=C(n2c3ccccc3c3cc4c(cc(-c5ccc6c(c5)c5c(n6-c6cc(-c7ccccc7)cc(-c7ccccc7)c6)C(C)CC=C5)c5ccccc54)cc32)C=CC1.
What is the InChIKey of 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is OIEGZYNFCBPPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-37-15-13-21-45(29-37)59-55-26-12-11-24-49(55)54-36-52-44(35-57(54)59)34-51(47-22-9-10-23-48(47)52)41-27-28-56-53(33-41)50-25-14-16-38(2)58(50)60(56)46-31-42(39-17-5-3-6-18-39)30-43(32-46)40-19-7-4-8-20-40/h3-14,17-38H,15-16H2,1-2H3.
What are the key properties of 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 769.00 g/mol, XLogP of 16.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 163836477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).