6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

C45H26N2O — CID 118944275

IUPAC6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H26N2O/c46-27-28-17-19-41-38(21-28)39-23-32(18-20-42(39)47(41)35-14-2-1-3-15-35)29-12-8-13-33(22-29)37-25-34-11-6-7-16-36(34)44-40-24-30-9-4-5-10-31(30)26-43(40)48-45(37)44/h1-26H
InChIKeyGHUJJLPBPZHWJD-UHFFFAOYSA-N
MW610.72 g/mol
LogP12.20
Rot. Bonds3

About 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile

6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (PubChem CID 118944275) has the molecular formula C45H26N2O and a molecular weight of 610.72 g/mol. Its IUPAC name is 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
PubChem CID118944275
Molecular FormulaC45H26N2O
Molecular Weight610.72 g/mol
Exact Mass610.20
IUPAC Name6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1ccc2c(c1)c1cc(-c3cccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)c3)ccc1n2-c1ccccc1
InChIInChI=1S/C45H26N2O/c46-27-28-17-19-41-38(21-28)39-23-32(18-20-42(39)47(41)35-14-2-1-3-15-35)29-12-8-13-33(22-29)37-25-34-11-6-7-16-36(34)44-40-24-30-9-4-5-10-31(30)26-43(40)48-45(37)44/h1-26H
InChIKeyGHUJJLPBPZHWJD-UHFFFAOYSA-N
XLogP12.20
TPSA41.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.72
LogP ≤ 512.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile with MolForge

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Related Compounds

7-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)-9-phenylcarbazole-2-carbonitrile
CID 134267013
8-(6,9-diphenylcarbazol-3-yl)dibenzofuran-2-carbonitrile
CID 135136147
6-[3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]fluoranthen-3-yl]phenyl]-9-phenylcarbazole-3-carbonitrile
CID 165376102
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
6-[4,6-bis(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-10-yl)-1,3,5-triazin-2-yl]-9-phenylcarbazole-2-carbonitrile
CID 126551243
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
6-(3-chromeno[4,3-b]indol-6-ylphenyl)-9-phenylcarbazole-3-carbonitrile
CID 122547852
9-[3-(3-dibenzofuran-2-ylphenyl)phenyl]carbazole-3-carbonitrile
CID 139303898
3-[3-[4-(9-phenylcarbazol-3-yl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774788
3-[3-[4-(9-phenylcarbazol-3-yl)-6-[9-(4-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 168774693
9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
6-[4-(7,10-diphenylfluoranthen-8-yl)phenyl]-9-phenylcarbazole-3-carbonitrile
CID 166868514

Frequently Asked Questions

What is the IUPAC name of 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile (CID 118944275) is 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is N#Cc1ccc2c(c1)c1cc(-c3cccc(-c4cc5ccccc5c5c4oc4cc6ccccc6cc45)c3)ccc1n2-c1ccccc1.
What is the InChIKey of 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
The InChIKey is GHUJJLPBPZHWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H26N2O/c46-27-28-17-19-41-38(21-28)39-23-32(18-20-42(39)47(41)35-14-2-1-3-15-35)29-12-8-13-33(22-29)37-25-34-11-6-7-16-36(34)44-40-24-30-9-4-5-10-31(30)26-43(40)48-45(37)44/h1-26H.
What are the key properties of 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile?
6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile has a molecular weight of 610.72 g/mol, XLogP of 12.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(12-oxapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-10-yl)phenyl]-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 118944275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).