9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C39H25N3 — CID 158497091

IUPAC9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)-c1c(ccc3c1c1ccccc1n3-c1ccc3ccccc3c1)C2(c1ccncc1)c1ccncc1
InChIInChI=1S/C39H25N3/c1-2-8-27-25-30(14-13-26(27)7-1)42-35-12-6-4-10-32(35)38-36(42)16-15-34-37(38)31-9-3-5-11-33(31)39(34,28-17-21-40-22-18-28)29-19-23-41-24-20-29/h1-25H
InChIKeyHJKTWRHNXCSURC-UHFFFAOYSA-N
MW535.65 g/mol
LogP9.09
Rot. Bonds3

About 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 158497091) has the molecular formula C39H25N3 and a molecular weight of 535.65 g/mol. Its IUPAC name is 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

Compound Name9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
PubChem CID158497091
Molecular FormulaC39H25N3
Molecular Weight535.65 g/mol
Exact Mass535.20
IUPAC Name9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc2c(c1)-c1c(ccc3c1c1ccccc1n3-c1ccc3ccccc3c1)C2(c1ccncc1)c1ccncc1
InChIInChI=1S/C39H25N3/c1-2-8-27-25-30(14-13-26(27)7-1)42-35-12-6-4-10-32(35)38-36(42)16-15-34-37(38)31-9-3-5-11-33(31)39(34,28-17-21-40-22-18-28)29-19-23-41-24-20-29/h1-25H
InChIKeyHJKTWRHNXCSURC-UHFFFAOYSA-N
XLogP9.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.65
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene with MolForge

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Related Compounds

CID 134551696
CID 134551696
9-naphthalen-2-yl-N-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-N-(4-phenylquinazolin-2-yl)carbazol-3-amine
CID 139384315
12-[3-[4-[4-[9-(3,5-diphenylphenyl)-14-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl]phenyl]phenyl]-5-phenylphenyl]-7,7-diphenylindeno[1,2-a]carbazole
CID 139407394
CID 134551695
CID 134551695
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
14,14-diphenyl-9-(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-diphenyl-5-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]indeno[1,2-b]carbazole
CID 161419059
4-(9-naphthalen-2-ylcarbazol-4-yl)-9-phenylcarbazole
CID 134507252
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
14,14-dimethyl-9-naphthalen-2-yl-5-(9-phenylcarbazol-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;11,11-dimethyl-5-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)indeno[1,2-b]carbazole
CID 159742124
9-methyl-14,14-diphenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126632479
9-(2,6-diphenyl-4-pyridinyl)-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
CID 140937339

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The IUPAC name of 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 158497091) is 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.
What is the SMILES notation for 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The canonical SMILES for 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1ccc2c(c1)-c1c(ccc3c1c1ccccc1n3-c1ccc3ccccc3c1)C2(c1ccncc1)c1ccncc1.
What is the InChIKey of 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
The InChIKey is HJKTWRHNXCSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25N3/c1-2-8-27-25-30(14-13-26(27)7-1)42-35-12-6-4-10-32(35)38-36(42)16-15-34-37(38)31-9-3-5-11-33(31)39(34,28-17-21-40-22-18-28)29-19-23-41-24-20-29/h1-25H.
What are the key properties of 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?
9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 535.65 g/mol, XLogP of 9.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-14,14-dipyridin-4-yl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 158497091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).