9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole

C54H38N2 — CID 175616668

IUPAC9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C54H38N2/c1-4-16-37(17-5-1)40-30-32-43(33-31-40)55-49-26-12-10-22-47(49)53-45(24-14-28-51(53)55)46-25-15-29-52-54(46)48-23-11-13-27-50(48)56(52)44-35-41(38-18-6-2-7-19-38)34-42(36-44)39-20-8-3-9-21-39/h1-36,47,49H
InChIKeyVXYVWEKJPFIECY-UHFFFAOYSA-N
MW714.91 g/mol
LogP14.18
Rot. Bonds6

About 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole

9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole (PubChem CID 175616668) has the molecular formula C54H38N2 and a molecular weight of 714.91 g/mol. Its IUPAC name is 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole.

Molecular Properties

Compound Name9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
PubChem CID175616668
Molecular FormulaC54H38N2
Molecular Weight714.91 g/mol
Exact Mass714.30
IUPAC Name9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole
SMILESC1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3N(c3ccc(-c4ccccc4)cc3)C2C=C1
InChIInChI=1S/C54H38N2/c1-4-16-37(17-5-1)40-30-32-43(33-31-40)55-49-26-12-10-22-47(49)53-45(24-14-28-51(53)55)46-25-15-29-52-54(46)48-23-11-13-27-50(48)56(52)44-35-41(38-18-6-2-7-19-38)34-42(36-44)39-20-8-3-9-21-39/h1-36,47,49H
InChIKeyVXYVWEKJPFIECY-UHFFFAOYSA-N
XLogP14.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.91
LogP ≤ 514.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9-(3,5-diphenylphenyl)carbazol-4-yl]-9-naphthalen-1-ylcarbazole
CID 146262872
9-(3,5-diphenylphenyl)-3-[9-(3,5-diphenylphenyl)-4b,8a-dihydrocarbazol-1-yl]carbazole
CID 118312808
22-phenyl-8-[3-(4-phenylphenyl)phenyl]-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301370
4-dibenzothiophen-1-yl-9-[3-(4-dibenzothiophen-1-ylcarbazol-9-yl)-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 118262679
4-(3-phenylphenyl)-9-(4-phenylphenyl)carbazole
CID 166660662
9-(4-phenylphenyl)-3-[9-[4-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170269959
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
9-phenyl-3-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-2-yl]carbazole
CID 156557997
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)phenyl]-4b,8a-dihydrocarbazol-3-yl]carbazole
CID 170079369
4-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-(3-phenylphenyl)carbazole
CID 165386046
9-[2-(4-dibenzofuran-3-yl-2-phenyl-1,2-dihydro-1,3,5-triazin-6-yl)-5-phenylphenyl]-2-phenyl-5-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole
CID 174270418

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole?
The IUPAC name of 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole (CID 175616668) is 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole.
What is the SMILES notation for 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole?
The canonical SMILES for 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole is C1=CC2c3c(-c4cccc5c4c4ccccc4n5-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)cccc3N(c3ccc(-c4ccccc4)cc3)C2C=C1.
What is the InChIKey of 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole?
The InChIKey is VXYVWEKJPFIECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N2/c1-4-16-37(17-5-1)40-30-32-43(33-31-40)55-49-26-12-10-22-47(49)53-45(24-14-28-51(53)55)46-25-15-29-52-54(46)48-23-11-13-27-50(48)56(52)44-35-41(38-18-6-2-7-19-38)34-42(36-44)39-20-8-3-9-21-39/h1-36,47,49H.
What are the key properties of 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole?
9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole has a molecular weight of 714.91 g/mol, XLogP of 14.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-diphenylphenyl)-4-[9-(4-phenylphenyl)-4b,8a-dihydrocarbazol-4-yl]carbazole is sourced from PubChem (CID 175616668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).