5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole

C27H19N — CID 161288735

IUPAC5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
SMILESc1ccc2c(c1)Cc1c-2ccc2c1c1ccccc1n2-c1ccc2c(c1)CC2
InChIInChI=1S/C27H19N/c1-2-6-21-19(5-1)16-24-22(21)13-14-26-27(24)23-7-3-4-8-25(23)28(26)20-12-11-17-9-10-18(17)15-20/h1-8,11-15H,9-10,16H2
InChIKeyDUGSXPYUVKHLCZ-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.45
Rot. Bonds1

About 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole

5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole (PubChem CID 161288735) has the molecular formula C27H19N and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole.

Molecular Properties

Compound Name5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
PubChem CID161288735
Molecular FormulaC27H19N
Molecular Weight357.46 g/mol
Exact Mass357.15
IUPAC Name5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole
SMILESc1ccc2c(c1)Cc1c-2ccc2c1c1ccccc1n2-c1ccc2c(c1)CC2
InChIInChI=1S/C27H19N/c1-2-6-21-19(5-1)16-24-22(21)13-14-26-27(24)23-7-3-4-8-25(23)28(26)20-12-11-17-9-10-18(17)15-20/h1-8,11-15H,9-10,16H2
InChIKeyDUGSXPYUVKHLCZ-UHFFFAOYSA-N
XLogP6.45
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.45
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
5-(9H-fluoren-2-yl)-12-phenylindolo[3,2-c]carbazole
CID 130417397
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
bis(2-carbazol-9-yl-5-phenyl-12H-indeno[1,2-c]carbazol-9-yl)-dimethylsilane
CID 58489573
3,6-ditert-butyl-9-(9H-fluoren-2-yl)carbazole
CID 158328553
9,14-bis(9H-fluoren-1-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 130432276
2-[9-(9H-fluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole
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5-bromo-2-(12H-indeno[1,2-c]carbazol-5-yl)aniline
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5-(9H-fluoren-3-yl)-12-phenylindolo[3,2-c]carbazole
CID 121289125
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
5-phenyl-2-(9-phenylfluoren-9-yl)-12H-indeno[1,2-c]carbazole
CID 58489702
9-(9H-fluoren-2-yl)-3,6-bis(4-naphthalen-1-ylphenyl)carbazole
CID 118475206

Frequently Asked Questions

What is the IUPAC name of 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole?
The IUPAC name of 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole (CID 161288735) is 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole.
What is the SMILES notation for 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole?
The canonical SMILES for 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole is c1ccc2c(c1)Cc1c-2ccc2c1c1ccccc1n2-c1ccc2c(c1)CC2.
What is the InChIKey of 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole?
The InChIKey is DUGSXPYUVKHLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N/c1-2-6-21-19(5-1)16-24-22(21)13-14-26-27(24)23-7-3-4-8-25(23)28(26)20-12-11-17-9-10-18(17)15-20/h1-8,11-15H,9-10,16H2.
What are the key properties of 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole?
5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole has a molecular weight of 357.46 g/mol, XLogP of 6.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-12H-indeno[1,2-c]carbazole is sourced from PubChem (CID 161288735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).