9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole

C43H34N2 — CID 143423702

IUPAC9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
SMILESC1=Cc2c(c3c(n2-c2ccc(-c4ccc(Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc2)C=CCC3)CC1
InChIInChI=1S/C43H34N2/c1-5-13-40-36(9-1)37-10-2-6-14-41(37)44(40)34-25-19-31(20-26-34)29-30-17-21-32(22-18-30)33-23-27-35(28-24-33)45-42-15-7-3-11-38(42)39-12-4-8-16-43(39)45/h1-2,5-10,13-28H,3-4,11-12,29H2
InChIKeyIMUBDNGCXNBSIZ-UHFFFAOYSA-N
MW578.76 g/mol
LogP10.75
Rot. Bonds5

About 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole

9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole (PubChem CID 143423702) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
PubChem CID143423702
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC Name9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
SMILESC1=Cc2c(c3c(n2-c2ccc(-c4ccc(Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc2)C=CCC3)CC1
InChIInChI=1S/C43H34N2/c1-5-13-40-36(9-1)37-10-2-6-14-41(37)44(40)34-25-19-31(20-26-34)29-30-17-21-32(22-18-30)33-23-27-35(28-24-33)45-42-15-7-3-11-38(42)39-12-4-8-16-43(39)45/h1-2,5-10,13-28H,3-4,11-12,29H2
InChIKeyIMUBDNGCXNBSIZ-UHFFFAOYSA-N
XLogP10.75
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 510.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-[4-[[4-[4-(8,9-dihydropyrido[4,3-b]indol-5-yl)phenyl]phenyl]methyl]phenyl]phenyl]pyrido[4,3-b]indole
CID 143035806
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
CID 130371057
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
9-[4-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,5-dimethylphenyl]phenyl]carbazole
CID 71097259
9-[4-[3-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2,4,6-trifluoro-5-phenylphenyl]phenyl]carbazole
CID 142867828
9-(4-phenylphenyl)-3-[4-[4-[(4-phenylphenyl)methyl]phenyl]phenyl]carbazole
CID 158819686
3-[3-[9-[4-(4-phenylphenyl)phenyl]-5,6-dihydrocarbazol-3-yl]carbazol-9-yl]benzonitrile
CID 163484812
9-[4-[4-[[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]methyl]phenyl]phenyl]carbazole
CID 146506354
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-ethyl-3,6-bis(9-ethylcarbazol-3-yl)carbazole;3-(9-ethylcarbazol-3-yl)-9-[4-[4-[3-(9-ethyl-5,6-dihydrocarbazol-3-yl)carbazol-9-yl]phenyl]phenyl]carbazole;9-ethyl-3-(9-ethylcarbazol-3-yl)-6-[9-ethyl-6-(9-ethylcarbazol-3-yl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 157190296
9-(4-phenylphenyl)-3-[9-(3-phenylphenyl)-5,6-dihydrocarbazol-2-yl]carbazole
CID 123902449

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole?
The IUPAC name of 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole (CID 143423702) is 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole?
The canonical SMILES for 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole is C1=Cc2c(c3c(n2-c2ccc(-c4ccc(Cc5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc2)C=CCC3)CC1.
What is the InChIKey of 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole?
The InChIKey is IMUBDNGCXNBSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-5-13-40-36(9-1)37-10-2-6-14-41(37)44(40)34-25-19-31(20-26-34)29-30-17-21-32(22-18-30)33-23-27-35(28-24-33)45-42-15-7-3-11-38(42)39-12-4-8-16-43(39)45/h1-2,5-10,13-28H,3-4,11-12,29H2.
What are the key properties of 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole?
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole has a molecular weight of 578.76 g/mol, XLogP of 10.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole is sourced from PubChem (CID 143423702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).