N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline

C54H42N4 — CID 130371057

IUPACN-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
SMILESC1=Cc2c(c3c(n2-c2ccc(N(c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CCC3)CC1
InChIInChI=1S/C54H42N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-3,7-15,19-36H,4-6,16-18H2
InChIKeyNUZZBLJVHGMTDZ-UHFFFAOYSA-N
MW746.96 g/mol
LogP13.87
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline

N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline (PubChem CID 130371057) has the molecular formula C54H42N4 and a molecular weight of 746.96 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
PubChem CID130371057
Molecular FormulaC54H42N4
Molecular Weight746.96 g/mol
Exact Mass746.34
IUPAC NameN-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline
SMILESC1=Cc2c(c3c(n2-c2ccc(N(c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CCC3)CC1
InChIInChI=1S/C54H42N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-3,7-15,19-36H,4-6,16-18H2
InChIKeyNUZZBLJVHGMTDZ-UHFFFAOYSA-N
XLogP13.87
TPSA18.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.96
LogP ≤ 513.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4a,9a-dihydrocarbazol-9-yl)-N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]aniline
CID 146413450
5-[3-carbazol-9-yl-5-(3,4-dihydrocarbazol-9-yl)phenoxy]-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 145157990
(4-carbazol-9-ylphenyl)-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenyl-sulfanylidene-λ5-phosphane
CID 147490956
N-(4-fluorophenyl)-N-[4-[4-(4-fluoro-N-(9-phenyl-5,6-dihydrocarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 129301071
9-[4-[[4-(3,4-dihydrocarbazol-9-yl)phenyl]-phenylphosphoryl]phenyl]carbazole
CID 88928125
9-[4-[[4-[4-(3,4,5,6-tetrahydrocarbazol-9-yl)phenyl]phenyl]methyl]phenyl]carbazole
CID 143423702
5,11-bis(4-methylphenyl)-7,8-dihydroindolo[3,2-b]carbazole
CID 71134727
N-dibenzo-p-dioxin-2-yl-9-phenyl-N-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazol-3-amine
CID 126636088
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
N-[4-[4-(3,4-dihydrocarbazol-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 129311526
3,5-bis(3,4-dihydrocarbazol-9-yl)benzonitrile
CID 174292944

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline (CID 130371057) is N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline is C1=Cc2c(c3c(n2-c2ccc(N(c4ccc(-n5c6c(c7ccccc75)CCC=C6)cc4)c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc2)C=CCC3)CC1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline?
The InChIKey is NUZZBLJVHGMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N4/c1-7-19-49-43(13-1)44-14-2-8-20-50(44)56(49)40-31-25-37(26-32-40)55(38-27-33-41(34-28-38)57-51-21-9-3-15-45(51)46-16-4-10-22-52(46)57)39-29-35-42(36-30-39)58-53-23-11-5-17-47(53)48-18-6-12-24-54(48)58/h1-3,7-15,19-36H,4-6,16-18H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline?
N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline has a molecular weight of 746.96 g/mol, XLogP of 13.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-N-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-4-(3,4,5,6-tetrahydrocarbazol-9-yl)aniline is sourced from PubChem (CID 130371057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).