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

C25H17N — CID 122434437

IUPAC9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)Cc2ccccc2-4)cc1
InChIInChI=1S/C25H17N/c1-2-9-19(10-3-1)26-22-13-7-6-12-21(22)25-23(26)15-14-18-16-17-8-4-5-11-20(17)24(18)25/h1-15H,16H2
InChIKeyOFCXMXAGPWWJGP-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.35
Rot. Bonds1

About 9-phenyl-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-phenyl-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 122434437) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 9-phenyl-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-phenyl-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 CID122434437
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
SMILESc1ccc(-n2c3ccccc3c3c4c(ccc32)Cc2ccccc2-4)cc1
InChIInChI=1S/C25H17N/c1-2-9-19(10-3-1)26-22-13-7-6-12-21(22)25-23(26)15-14-18-16-17-8-4-5-11-20(17)24(18)25/h1-15H,16H2
InChIKeyOFCXMXAGPWWJGP-UHFFFAOYSA-N
XLogP6.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[7-(9H-fluoren-2-yl)-9H-fluoren-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
CID 170285115
22-phenyl-22-azapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
CID 159131557
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
9-(9H-fluoren-3-yl)-14-(4-methylphenyl)-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 163468224
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
3-[9-[2-(9H-fluoren-4-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 126753267
9-phenyl-14-[10-(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-nonaen-9-yl)anthracen-9-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 170394033
9-(9H-fluoren-1-yl)-14-(3-phenylphenyl)-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-(9H-fluoren-2-yl)-14-(3-phenylphenyl)-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-(9H-fluoren-3-yl)-14-(3-phenylphenyl)-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-(9H-fluoren-3-yl)-14-(4-phenylphenyl)-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-(9H-fluoren-4-yl)-14-(3-phenylphenyl)-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-(9H-fluoren-4-yl)-14-(4-phenylphenyl)-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 163654344
4-chloro-2,6-diphenylpyrimidine-5-carbonitrile;2,4-diphenyl-6-(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-nonaen-9-yl)pyrimidine-5-carbonitrile;methane;molecular hydrogen;9-phenyl-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 163935675
4-(9-phenylcarbazol-3-yl)-9H-fluoren-2-amine
CID 175863693
2-(9-phenylcarbazol-4-yl)-5H-indeno[1,2-d]pyrimidine
CID 175232467

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-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-phenyl-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 122434437) is 9-phenyl-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-phenyl-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-phenyl-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 c1ccc(-n2c3ccccc3c3c4c(ccc32)Cc2ccccc2-4)cc1.
What is the InChIKey of 9-phenyl-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 OFCXMXAGPWWJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c1-2-9-19(10-3-1)26-22-13-7-6-12-21(22)25-23(26)15-14-18-16-17-8-4-5-11-20(17)24(18)25/h1-15H,16H2.
What are the key properties of 9-phenyl-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-phenyl-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 331.42 g/mol, XLogP of 6.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-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 122434437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).