3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

C34H22N2 — CID 144609323

IUPAC3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
SMILESc1ccc(-n2c3ccc4ccccc4c3c3c2c2ccccc2n3-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H22N2/c1-2-14-25(15-3-1)35-31-22-21-24-12-5-7-17-27(24)32(31)34-33(35)28-18-8-9-19-30(28)36(34)29-20-10-13-23-11-4-6-16-26(23)29/h1-22H
InChIKeyDTDJLKJAVIPKHI-UHFFFAOYSA-N
MW458.56 g/mol
LogP9.03
Rot. Bonds2

About 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene

3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (PubChem CID 144609323) has the molecular formula C34H22N2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.

Molecular Properties

Compound Name3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
PubChem CID144609323
Molecular FormulaC34H22N2
Molecular Weight458.56 g/mol
Exact Mass458.18
IUPAC Name3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene
SMILESc1ccc(-n2c3ccc4ccccc4c3c3c2c2ccccc2n3-c2cccc3ccccc23)cc1
InChIInChI=1S/C34H22N2/c1-2-14-25(15-3-1)35-31-22-21-24-12-5-7-17-27(24)32(31)34-33(35)28-18-8-9-19-30(28)36(34)29-20-10-13-23-11-4-6-16-26(23)29/h1-22H
InChIKeyDTDJLKJAVIPKHI-UHFFFAOYSA-N
XLogP9.03
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene 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

2-(7-naphthalen-1-ylbenzo[c]carbazol-2-yl)-7-phenylbenzo[c]carbazole
CID 131979777
9-fluoranthen-3-yl-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146341837
12-phenyl-15-(9-phenylcarbazol-3-yl)-12,15-diazahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
CID 122465510
2,5-bis(24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaen-9-yl)benzene-1,4-dicarbonitrile
CID 121328528
5-naphthalen-1-yl-12-[4-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 134168763
9,24-bis(4-phenylphenyl)-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 146253453
24-methyl-9-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 126632596
7-(4-carbazol-9-ylphenyl)benzo[c]carbazole
CID 70836917
12-phenyl-5-(9-phenylcarbazol-1-yl)indolo[3,2-c]carbazole
CID 130417453
2-(7-naphthalen-1-ylbenzo[c]carbazol-3-yl)-7-(4-phenylphenyl)benzo[c]carbazole;7-phenyl-2-(7-phenylbenzo[c]carbazol-10-yl)benzo[c]carbazole
CID 160886256
9-(9,9-dimethylfluoren-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.015,20]tetracosa-1(13),2(10),3,5,7,11,14(23),15,17,19,21-undecaene
CID 122465554
9,14-dinaphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-naphthalen-1-yl-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-naphthalen-2-yl-11-(4-naphthalen-2-ylphenyl)indolo[2,3-a]carbazole;12-(6-naphthalen-2-ylnaphthalen-2-yl)-11-phenylindolo[2,3-a]carbazole;12-naphthalen-2-yl-11-[4-(4-naphthalen-2-ylphenyl)phenyl]indolo[2,3-a]carbazole;9-naphthalen-2-yl-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;12-(3-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-(4-naphthalen-2-ylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole;12-[4-(6-phenylnaphthalen-2-yl)phenyl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole;12-(6-phenylnaphthalen-2-yl)-11-[4-(4-phenylphenyl)phenyl]indolo[2,3-a]carbazole
CID 157341055

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The IUPAC name of 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene (CID 144609323) is 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene.
What is the SMILES notation for 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The canonical SMILES for 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is c1ccc(-n2c3ccc4ccccc4c3c3c2c2ccccc2n3-c2cccc3ccccc23)cc1.
What is the InChIKey of 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
The InChIKey is DTDJLKJAVIPKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N2/c1-2-14-25(15-3-1)35-31-22-21-24-12-5-7-17-27(24)32(31)34-33(35)28-18-8-9-19-30(28)36(34)29-20-10-13-23-11-4-6-16-26(23)29/h1-22H.
What are the key properties of 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene?
3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene has a molecular weight of 458.56 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yl-11-phenyl-3,11-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2(10),4,6,8,13,15,17,19-nonaene is sourced from PubChem (CID 144609323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).