3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene

C64H40N2 — CID 58161488

IUPAC3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3cccc4ccccc34)c3c2cc2ccc4c5c(ccc3c25)cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3cccc5ccccc35)c24)cc1
InChIInChI=1S/C64H40N2/c1-5-21-43(22-6-1)59-53-39-47-35-38-52-58-48(36-37-51(57(47)58)63(53)65(61(59)45-25-9-3-10-26-45)55-33-17-29-41-19-13-15-31-49(41)55)40-54-60(44-23-7-2-8-24-44)62(46-27-11-4-12-28-46)66(64(52)54)56-34-18-30-42-20-14-16-32-50(42)56/h1-40H
InChIKeyOCUXHTAZFQBKGF-UHFFFAOYSA-N
MW837.04 g/mol
LogP17.45
Rot. Bonds6

About 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene

3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene (PubChem CID 58161488) has the molecular formula C64H40N2 and a molecular weight of 837.04 g/mol. Its IUPAC name is 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene.

Molecular Properties

Compound Name3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
PubChem CID58161488
Molecular FormulaC64H40N2
Molecular Weight837.04 g/mol
Exact Mass836.32
IUPAC Name3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene
SMILESc1ccc(-c2c(-c3ccccc3)n(-c3cccc4ccccc34)c3c2cc2ccc4c5c(ccc3c25)cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3cccc5ccccc35)c24)cc1
InChIInChI=1S/C64H40N2/c1-5-21-43(22-6-1)59-53-39-47-35-38-52-58-48(36-37-51(57(47)58)63(53)65(61(59)45-25-9-3-10-26-45)55-33-17-29-41-19-13-15-31-49(41)55)40-54-60(44-23-7-2-8-24-44)62(46-27-11-4-12-28-46)66(64(52)54)56-34-18-30-42-20-14-16-32-50(42)56/h1-40H
InChIKeyOCUXHTAZFQBKGF-UHFFFAOYSA-N
XLogP17.45
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500837.04
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene 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

3-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)-4,5-diphenyl-3-azapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),4,7,9,11(19),12,14,16-nonaene
CID 58161500
7-naphthalen-1-yl-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 130350960
5,10-ditert-butyl-2,3-diphenyl-1-pyren-1-ylnaphtho[2,3-f]indole
CID 58161219
7-naphthalen-1-yl-2-phenylbenzo[c]carbazole
CID 130351033
1,2,3-triphenylbenzo[f]indole
CID 102138150
11-naphthalen-1-yl-12-[3-(11-naphthalen-1-ylindolo[2,3-a]carbazol-12-yl)-5-phenylphenyl]indolo[2,3-a]carbazole
CID 59365908
12-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 129086366
N-[4-(2,3-diphenylindol-1-yl)phenyl]-N-naphthalen-1-ylnaphthalen-2-amine
CID 59098802
N-(9,9-dimethylfluoren-2-yl)-N-[4-(1-naphthalen-1-yl-2,3-diphenylbenzo[g]indol-6-yl)phenyl]-9-phenylcarbazol-3-amine
CID 58161690
anthracene;chrysene;9,10-diphenylanthracene;naphthalene;pyrene
CID 174820118
6,12,21,27-tetranaphthalen-1-yl-6,12,21,27-tetrazaheptacyclo[26.2.2.22,5.213,16.217,20.17,11.122,26]tetraconta-1(31),2(40),3,5(39),7(38),8,10,13,15,17(35),18,20(34),22,24,26(33),28(32),29,36-octadecaene
CID 20740992
1-benzo[a]carbazol-11-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[b]carbazole
CID 155477453

Frequently Asked Questions

What is the IUPAC name of 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene?
The IUPAC name of 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene (CID 58161488) is 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene.
What is the SMILES notation for 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene?
The canonical SMILES for 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene is c1ccc(-c2c(-c3ccccc3)n(-c3cccc4ccccc34)c3c2cc2ccc4c5c(ccc3c25)cc2c(-c3ccccc3)c(-c3ccccc3)n(-c3cccc5ccccc35)c24)cc1.
What is the InChIKey of 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene?
The InChIKey is OCUXHTAZFQBKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N2/c1-5-21-43(22-6-1)59-53-39-47-35-38-52-58-48(36-37-51(57(47)58)63(53)65(61(59)45-25-9-3-10-26-45)55-33-17-29-41-19-13-15-31-49(41)55)40-54-60(44-23-7-2-8-24-44)62(46-27-11-4-12-28-46)66(64(52)54)56-34-18-30-42-20-14-16-32-50(42)56/h1-40H.
What are the key properties of 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene?
3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene has a molecular weight of 837.04 g/mol, XLogP of 17.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-dinaphthalen-1-yl-4,5,14,15-tetraphenyl-3,13-diazahexacyclo[9.9.2.02,6.08,21.012,16.018,22]docosa-1(21),2(6),4,7,9,11(22),12(16),14,17,19-decaene is sourced from PubChem (CID 58161488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).