N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine

C48H37N3 — CID 144831039

IUPACN-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
SMILESC1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)cccc2n3-c2ccccc2)=C1
InChIInChI=1S/C48H37N3/c1-5-16-35(17-6-1)49(36-18-7-2-8-19-36)39-29-31-45-43(33-39)48-40(25-15-27-46(48)50(45)37-20-9-3-10-21-37)34-28-30-42-41-24-13-14-26-44(41)51(47(42)32-34)38-22-11-4-12-23-38/h1-7,9-13,15-18,20-25,27-33H,8,14,19,26H2
InChIKeyIGWOZPNHVUUMNS-UHFFFAOYSA-N
MW655.85 g/mol
LogP12.73
Rot. Bonds6

About N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine

N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine (PubChem CID 144831039) has the molecular formula C48H37N3 and a molecular weight of 655.85 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
PubChem CID144831039
Molecular FormulaC48H37N3
Molecular Weight655.85 g/mol
Exact Mass655.30
IUPAC NameN-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine
SMILESC1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)cccc2n3-c2ccccc2)=C1
InChIInChI=1S/C48H37N3/c1-5-16-35(17-6-1)49(36-18-7-2-8-19-36)39-29-31-45-43(33-39)48-40(25-15-27-46(48)50(45)37-20-9-3-10-21-37)34-28-30-42-41-24-13-14-26-44(41)51(47(42)32-34)38-22-11-4-12-23-38/h1-7,9-13,15-18,20-25,27-33H,8,14,19,26H2
InChIKeyIGWOZPNHVUUMNS-UHFFFAOYSA-N
XLogP12.73
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.85
LogP ≤ 512.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[3-(9-phenyl-7,8-dihydrocarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195728
9-phenyl-2-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazole
CID 144650170
20-N-cyclohexa-1,3-dien-1-yl-10-N-cyclohexa-2,4-dien-1-yl-10-N,20-N-diphenyl-6,24-bis(9-phenyl-7,8-dihydrocarbazol-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7(12),8,10,17(25),18(23),19,21,26-dodecaene-10,20-diamine
CID 163545071
4-(3-cyclohexa-1,3-dien-1-ylphenyl)-N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]aniline
CID 166571246
3-phenyl-4-(9-phenyl-7,8-dihydrocarbazol-3-yl)-N,N-bis(4-phenylphenyl)aniline
CID 134320780
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-4-yl]phenyl]-7,8-dihydrocarbazol-3-yl]phenyl]fluoren-2-amine
CID 170420745
6-[3-(3-carbazol-9-ylphenyl)phenyl]-2-[9-[3-(1,2-dihydrocarbazol-9-yl)phenyl]carbazol-4-yl]-9-methylcarbazole
CID 163941153
N-[4-[3-(1,2-dihydrocarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 167211221
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]-1,2-dihydrophenanthren-9-amine
CID 166660616
N-(3-carbazol-9-ylphenyl)-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010115
5,9-diphenyl-N-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 169009943
3-(7,9-diphenylcarbazol-4-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166659605

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine (CID 144831039) is N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine is C1=CCCC(N(c2ccccc2)c2ccc3c(c2)c2c(-c4ccc5c6c(n(-c7ccccc7)c5c4)CCC=C6)cccc2n3-c2ccccc2)=C1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine?
The InChIKey is IGWOZPNHVUUMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N3/c1-5-16-35(17-6-1)49(36-18-7-2-8-19-36)39-29-31-45-43(33-39)48-40(25-15-27-46(48)50(45)37-20-9-3-10-21-37)34-28-30-42-41-24-13-14-26-44(41)51(47(42)32-34)38-22-11-4-12-23-38/h1-7,9-13,15-18,20-25,27-33H,8,14,19,26H2.
What are the key properties of N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine?
N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine has a molecular weight of 655.85 g/mol, XLogP of 12.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-N,9-diphenyl-5-(9-phenyl-7,8-dihydrocarbazol-2-yl)carbazol-3-amine is sourced from PubChem (CID 144831039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).