8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole

C42H28N2 — CID 144751534

IUPAC8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole
SMILESc1ccc(-n2c3c(c4ccccc42)-c2ccc(-c4cccc(-n5c6c(c7ccccc75)-c5ccccc5C6)c4)cc2C3)cc1
InChIInChI=1S/C42H28N2/c1-2-13-31(14-3-1)43-37-19-8-6-17-35(37)42-34-22-21-28(23-30(34)26-40(42)43)27-12-10-15-32(24-27)44-38-20-9-7-18-36(38)41-33-16-5-4-11-29(33)25-39(41)44/h1-24H,25-26H2
InChIKeyTUNXQPLRJJIDKF-UHFFFAOYSA-N
MW560.70 g/mol
LogP10.38
Rot. Bonds3

About 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole

8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole (PubChem CID 144751534) has the molecular formula C42H28N2 and a molecular weight of 560.70 g/mol. Its IUPAC name is 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole.

Molecular Properties

Compound Name8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole
PubChem CID144751534
Molecular FormulaC42H28N2
Molecular Weight560.70 g/mol
Exact Mass560.23
IUPAC Name8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole
SMILESc1ccc(-n2c3c(c4ccccc42)-c2ccc(-c4cccc(-n5c6c(c7ccccc75)-c5ccccc5C6)c4)cc2C3)cc1
InChIInChI=1S/C42H28N2/c1-2-13-31(14-3-1)43-37-19-8-6-17-35(37)42-34-22-21-28(23-30(34)26-40(42)43)27-12-10-15-32(24-27)44-38-20-9-7-18-36(38)41-33-16-5-4-11-29(33)25-39(41)44/h1-24H,25-26H2
InChIKeyTUNXQPLRJJIDKF-UHFFFAOYSA-N
XLogP10.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.70
LogP ≤ 510.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
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9-[5-(9H-fluoren-2-yl)-9H-fluoren-3-yl]carbazole
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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
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CID 162495147

Frequently Asked Questions

What is the IUPAC name of 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole?
The IUPAC name of 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole (CID 144751534) is 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole.
What is the SMILES notation for 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole?
The canonical SMILES for 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole is c1ccc(-n2c3c(c4ccccc42)-c2ccc(-c4cccc(-n5c6c(c7ccccc75)-c5ccccc5C6)c4)cc2C3)cc1.
What is the InChIKey of 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole?
The InChIKey is TUNXQPLRJJIDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2/c1-2-13-31(14-3-1)43-37-19-8-6-17-35(37)42-34-22-21-28(23-30(34)26-40(42)43)27-12-10-15-32(24-27)44-38-20-9-7-18-36(38)41-33-16-5-4-11-29(33)25-39(41)44/h1-24H,25-26H2.
What are the key properties of 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole?
8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole has a molecular weight of 560.70 g/mol, XLogP of 10.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(6H-indeno[2,1-b]indol-5-yl)phenyl]-5-phenyl-6H-indeno[2,1-b]indole is sourced from PubChem (CID 144751534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).