10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene

C54H32N2O — CID 139551557

IUPAC10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4c5oc6ccc7ccc8ccccc8c7c6c5ccc43)ccc2c1
InChIInChI=1S/C54H32N2O/c1-2-11-37-31-40(26-21-33(37)9-1)56-48-28-22-38(34-19-24-39(25-20-34)55-46-15-7-5-13-42(46)43-14-6-8-16-47(43)55)32-45(48)52-49(56)29-27-44-53-50(57-54(44)52)30-23-36-18-17-35-10-3-4-12-41(35)51(36)53/h1-32H
InChIKeyFVKQLBJVMWVVOA-UHFFFAOYSA-N
MW724.86 g/mol
LogP14.91
Rot. Bonds3

About 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene

10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene (PubChem CID 139551557) has the molecular formula C54H32N2O and a molecular weight of 724.86 g/mol. Its IUPAC name is 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene.

Molecular Properties

Compound Name10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene
PubChem CID139551557
Molecular FormulaC54H32N2O
Molecular Weight724.86 g/mol
Exact Mass724.25
IUPAC Name10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene
SMILESc1ccc2cc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4c5oc6ccc7ccc8ccccc8c7c6c5ccc43)ccc2c1
InChIInChI=1S/C54H32N2O/c1-2-11-37-31-40(26-21-33(37)9-1)56-48-28-22-38(34-19-24-39(25-20-34)55-46-15-7-5-13-42(46)43-14-6-8-16-47(43)55)32-45(48)52-49(56)29-27-44-53-50(57-54(44)52)30-23-36-18-17-35-10-3-4-12-41(35)51(36)53/h1-32H
InChIKeyFVKQLBJVMWVVOA-UHFFFAOYSA-N
XLogP14.91
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.86
LogP ≤ 514.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-naphthalen-2-yl-3-naphtho[1,2-b][1]benzofuran-8-ylcarbazole
CID 118919642
7-naphthalen-2-yl-10-(7-naphthalen-2-ylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 118919598
11-naphthalen-2-yl-8-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-1-ylcarbazol-3-yl)-[1]benzofuro[3,2-c]carbazole;14-naphthalen-2-yl-18-(9-naphthalen-1-ylcarbazol-3-yl)-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 159963365
3-[4-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole;7-naphthalen-1-yl-10-(9-naphthalen-2-ylcarbazol-2-yl)benzo[c]carbazole;9-naphthalen-1-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 157495680
5-phenyl-9-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-[1]benzofuro[3,2-c]carbazole
CID 137401801
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
3-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-12-phenyl-[1]benzofuro[2,3-a]carbazole;12-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 160760258
3-[4-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-9-phenylcarbazole
CID 118919603
7-naphthalen-2-yl-2-phenanthren-2-ylbenzo[c]carbazole
CID 130351506
5-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 167193138
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
15-[4-(9-phenylcarbazol-3-yl)phenyl]-15-azahexacyclo[12.11.0.02,11.04,9.016,25.019,24]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene
CID 164740446

Frequently Asked Questions

What is the IUPAC name of 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene?
The IUPAC name of 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene (CID 139551557) is 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene.
What is the SMILES notation for 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene?
The canonical SMILES for 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene is c1ccc2cc(-n3c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4c4c5oc6ccc7ccc8ccccc8c7c6c5ccc43)ccc2c1.
What is the InChIKey of 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene?
The InChIKey is FVKQLBJVMWVVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O/c1-2-11-37-31-40(26-21-33(37)9-1)56-48-28-22-38(34-19-24-39(25-20-34)55-46-15-7-5-13-42(46)43-14-6-8-16-47(43)55)32-45(48)52-49(56)29-27-44-53-50(57-54(44)52)30-23-36-18-17-35-10-3-4-12-41(35)51(36)53/h1-32H.
What are the key properties of 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene?
10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene has a molecular weight of 724.86 g/mol, XLogP of 14.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-carbazol-9-ylphenyl)-6-naphthalen-2-yl-15-oxa-6-azaheptacyclo[14.12.0.02,14.05,13.07,12.019,28.022,27]octacosa-1(16),2(14),3,5(13),7(12),8,10,17,19(28),20,22,24,26-tridecaene is sourced from PubChem (CID 139551557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).