10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene

C39H26N2 — CID 154947539

IUPAC10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
SMILESC1=Cc2c(n(-c3cccc4ccccc34)c3cc4c5ccccc5n(-c5cccc6ccccc56)c4cc23)C=CC1
InChIInChI=1S/C39H26N2/c1-2-18-30-32-24-39-33(25-38(32)40(36(30)20-3-1)34-22-10-14-26-12-4-6-16-28(26)34)31-19-8-9-21-37(31)41(39)35-23-11-15-27-13-5-7-17-29(27)35/h2-25H,1H2
InChIKeyAHKWGXLPVBRQBC-UHFFFAOYSA-N
MW522.65 g/mol
LogP10.46
Rot. Bonds2

About 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene

10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene (PubChem CID 154947539) has the molecular formula C39H26N2 and a molecular weight of 522.65 g/mol. Its IUPAC name is 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene.

Molecular Properties

Compound Name10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
PubChem CID154947539
Molecular FormulaC39H26N2
Molecular Weight522.65 g/mol
Exact Mass522.21
IUPAC Name10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene
SMILESC1=Cc2c(n(-c3cccc4ccccc34)c3cc4c5ccccc5n(-c5cccc6ccccc56)c4cc23)C=CC1
InChIInChI=1S/C39H26N2/c1-2-18-30-32-24-39-33(25-38(32)40(36(30)20-3-1)34-22-10-14-26-12-4-6-16-28(26)34)31-19-8-9-21-37(31)41(39)35-23-11-15-27-13-5-7-17-29(27)35/h2-25H,1H2
InChIKeyAHKWGXLPVBRQBC-UHFFFAOYSA-N
XLogP10.46
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 510.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-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

5,11-dinaphthalen-1-ylindolo[3,2-b]carbazol-3-amine
CID 59742334
5-phenyl-2-(9-phenylcarbazol-2-yl)-8H-cyclohepta[b]indole
CID 144650193
11-(7,8-didehydronaphthalen-1-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 152929477
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 138623405
9-naphthalen-1-yl-N-triphenylen-2-ylcarbazol-3-amine
CID 142740278
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
11-naphthalen-1-yl-5-(8-phenylnaphthalen-2-yl)indolo[3,2-b]carbazole
CID 167157220
7-naphthalen-1-yl-5-quinazolin-2-ylindolo[2,3-b]carbazole
CID 138623613
9-naphthalen-1-yl-2-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 155087212
3-(4-carbazol-9-ylcarbazol-9-yl)-9-naphthalen-1-ylcarbazole
CID 134240253

Frequently Asked Questions

What is the IUPAC name of 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The IUPAC name of 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene (CID 154947539) is 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene.
What is the SMILES notation for 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The canonical SMILES for 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene is C1=Cc2c(n(-c3cccc4ccccc34)c3cc4c5ccccc5n(-c5cccc6ccccc56)c4cc23)C=CC1.
What is the InChIKey of 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
The InChIKey is AHKWGXLPVBRQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H26N2/c1-2-18-30-32-24-39-33(25-38(32)40(36(30)20-3-1)34-22-10-14-26-12-4-6-16-28(26)34)31-19-8-9-21-37(31)41(39)35-23-11-15-27-13-5-7-17-29(27)35/h2-25H,1H2.
What are the key properties of 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene?
10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene has a molecular weight of 522.65 g/mol, XLogP of 10.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10,21-dinaphthalen-1-yl-10,21-diazapentacyclo[11.8.0.03,11.04,9.014,20]henicosa-1(13),2,4,6,8,11,14(20),15,18-nonaene is sourced from PubChem (CID 154947539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).