4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole

C48H34N2 — CID 167285061

IUPAC4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESC1=Cc2c(c3c(-c4ccccc4)cccc3n2-c2ccccc2-c2ccccc2-n2c3ccccc3c3c(-c4ccccc4)cccc32)CC1
InChIInChI=1S/C48H34N2/c1-3-17-33(18-4-1)35-25-15-31-45-47(35)39-23-9-13-29-43(39)49(45)41-27-11-7-21-37(41)38-22-8-12-28-42(38)50-44-30-14-10-24-40(44)48-36(26-16-32-46(48)50)34-19-5-2-6-20-34/h1-9,11-23,25-32H,10,24H2
InChIKeyRRALSVDIKMCRTC-UHFFFAOYSA-N
MW638.81 g/mol
LogP12.69
Rot. Bonds5

About 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole

4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole (PubChem CID 167285061) has the molecular formula C48H34N2 and a molecular weight of 638.81 g/mol. Its IUPAC name is 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
PubChem CID167285061
Molecular FormulaC48H34N2
Molecular Weight638.81 g/mol
Exact Mass638.27
IUPAC Name4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole
SMILESC1=Cc2c(c3c(-c4ccccc4)cccc3n2-c2ccccc2-c2ccccc2-n2c3ccccc3c3c(-c4ccccc4)cccc32)CC1
InChIInChI=1S/C48H34N2/c1-3-17-33(18-4-1)35-25-15-31-45-47(35)39-23-9-13-29-43(39)49(45)41-27-11-7-21-37(41)38-22-8-12-28-42(38)50-44-30-14-10-24-40(44)48-36(26-16-32-46(48)50)34-19-5-2-6-20-34/h1-9,11-23,25-32H,10,24H2
InChIKeyRRALSVDIKMCRTC-UHFFFAOYSA-N
XLogP12.69
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.81
LogP ≤ 512.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[2-[2-[2-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole
CID 130218112
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]carbazole
CID 139456072
5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-(9-phenyl-5,6-dihydrocarbazol-4-yl)indolo[3,2-c]carbazole
CID 146849821
4-phenyl-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037163
3-(9-dibenzofuran-1-yl-5,6-dihydrocarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167196031
4-(4-chlorophenyl)-9-[2-(4-phenylphenyl)phenyl]carbazole
CID 167454723
ethane;9-phenyl-6-(9-phenyl-5,6-dihydrocarbazol-4-yl)pyrido[2,3-b]indole
CID 144976551
5-[2-(2,4-diphenylphenyl)phenyl]-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-10,11-dihydroindolo[2,3-b]carbazole
CID 175630031
9-(7-dibenzothiophen-1-yldibenzothiophen-4-yl)-3,4-dihydrocarbazole
CID 170278418
4-phenyl-9-[2-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]carbazole
CID 167032359
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
4-[9-(4-cyclopenta-1,2,4-trien-1-ylphenyl)-5,6-dihydrocarbazol-4-yl]-9-phenylpyrido[3,4-b]indole
CID 144976290

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole (CID 167285061) is 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole is C1=Cc2c(c3c(-c4ccccc4)cccc3n2-c2ccccc2-c2ccccc2-n2c3ccccc3c3c(-c4ccccc4)cccc32)CC1.
What is the InChIKey of 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole?
The InChIKey is RRALSVDIKMCRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2/c1-3-17-33(18-4-1)35-25-15-31-45-47(35)39-23-9-13-29-43(39)49(45)41-27-11-7-21-37(41)38-22-8-12-28-42(38)50-44-30-14-10-24-40(44)48-36(26-16-32-46(48)50)34-19-5-2-6-20-34/h1-9,11-23,25-32H,10,24H2.
What are the key properties of 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole?
4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole has a molecular weight of 638.81 g/mol, XLogP of 12.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-9-[2-[2-(5-phenyl-3,4-dihydrocarbazol-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167285061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).