9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole

C54H38N2 — CID 71135736

IUPAC9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
SMILESC1=Cc2c(c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c4)c3n2-c2ccccc2)CC1
InChIInChI=1S/C54H38N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-9,11-24,26-36H,10,25H2
InChIKeyUGNRUBOCCHDQKW-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.35
Rot. Bonds6

About 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole

9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole (PubChem CID 71135736) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
PubChem CID71135736
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
SMILESC1=Cc2c(c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c4)c3n2-c2ccccc2)CC1
InChIInChI=1S/C54H38N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-9,11-24,26-36H,10,25H2
InChIKeyUGNRUBOCCHDQKW-UHFFFAOYSA-N
XLogP14.35
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-1-[3-[3-phenyl-5-(9-phenylcarbazol-1-yl)phenyl]phenyl]carbazole
CID 71127197
11-phenyl-12-[3-[3-(12-phenyl-7,8-dihydroindolo[2,3-a]carbazol-11-yl)-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-5-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
CID 88912475
11-phenyl-12-[4-(11-phenyl-7,8-dihydroindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 147175999
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenyl-3,15-diazahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4,6,8,11,14(22),16(21),17,23-decaene
CID 135192250
5,11-bis(3-phenylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 123303994
9-phenyl-1-(3-triphenylen-2-ylphenyl)carbazole
CID 118014216
9-phenyl-1-[2-(3-phenylphenyl)phenyl]carbazole
CID 175012916
5-phenyl-12-[3-(5-phenyl-8,9-dihydroindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240198
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272
3-[9-(3,5-diphenylphenyl)carbazol-1-yl]-9-(4-phenylphenyl)carbazole;3-(9-phenylcarbazol-1-yl)-9-(3-phenylphenyl)carbazole;9-(3-phenylphenyl)-1-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159712744
1-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]carbazole
CID 154590389
6-[9-(3,5-diphenylphenyl)carbazol-3-yl]-1,9-diphenylcarbazole
CID 170072372

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole?
The IUPAC name of 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole (CID 71135736) is 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole is C1=Cc2c(c3cccc(-c4cccc(-c5cc(-c6ccccc6)cc(-c6cccc7c8ccccc8n(-c8ccccc8)c67)c5)c4)c3n2-c2ccccc2)CC1.
What is the InChIKey of 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole?
The InChIKey is UGNRUBOCCHDQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-17-37(18-5-1)40-34-41(36-42(35-40)46-28-16-30-50-48-26-11-13-32-52(48)56(54(46)50)44-23-8-3-9-24-44)38-19-14-20-39(33-38)45-27-15-29-49-47-25-10-12-31-51(47)55(53(45)49)43-21-6-2-7-22-43/h1-9,11-24,26-36H,10,25H2.
What are the key properties of 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole?
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole has a molecular weight of 714.91 g/mol, XLogP of 14.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 71135736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).