N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine

C68H45N3 — CID 165036325

IUPACN,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C68H45N3/c1-3-22-50(23-4-1)70-64-34-13-12-29-59(64)62-44-63(61-33-17-32-60-58-28-11-14-35-65(58)71(68(60)61)51-24-5-2-6-25-51)66(45-67(62)70)69(52-40-36-48(37-41-52)56-30-15-20-46-18-7-9-26-54(46)56)53-42-38-49(39-43-53)57-31-16-21-47-19-8-10-27-55(47)57/h1-45H
InChIKeyHOHMALRGJWHIDR-UHFFFAOYSA-N
MW904.13 g/mol
LogP18.66
Rot. Bonds8

About N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine

N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine (PubChem CID 165036325) has the molecular formula C68H45N3 and a molecular weight of 904.13 g/mol. Its IUPAC name is N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine.

Molecular Properties

Compound NameN,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
PubChem CID165036325
Molecular FormulaC68H45N3
Molecular Weight904.13 g/mol
Exact Mass903.36
IUPAC NameN,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1
InChIInChI=1S/C68H45N3/c1-3-22-50(23-4-1)70-64-34-13-12-29-59(64)62-44-63(61-33-17-32-60-58-28-11-14-35-65(58)71(68(60)61)51-24-5-2-6-25-51)66(45-67(62)70)69(52-40-36-48(37-41-52)56-30-15-20-46-18-7-9-26-54(46)56)53-42-38-49(39-43-53)57-31-16-21-47-19-8-10-27-55(47)57/h1-45H
InChIKeyHOHMALRGJWHIDR-UHFFFAOYSA-N
XLogP18.66
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.13
LogP ≤ 518.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501807
3-dibenzothiophen-4-yl-N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 164968900
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501382
N-[4-(3-carbazol-9-ylphenyl)phenyl]-5-naphthalen-1-yl-2-phenyl-N-(4-phenylphenyl)aniline
CID 167234123
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[9-[2-[9-phenyl-6-[4-(4-phenyl-N-[4-[9-phenyl-8-[2-[3-[4-(N-[4-(9-phenylcarbazol-3-yl)phenyl]anilino)phenyl]carbazol-9-yl]phenyl]carbazol-3-yl]phenyl]anilino)phenyl]carbazol-1-yl]phenyl]carbazol-3-yl]phenyl]naphthalen-1-amine
CID 163615768
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
3-dibenzothiophen-1-yl-9-phenyl-N,N-bis(4-phenylphenyl)carbazol-2-amine
CID 164997385
3-dibenzofuran-1-yl-9-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 164993215
N-(3-naphthalen-1-ylnaphthalen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 176588168
9-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 130250239
N-(4-carbazol-9-ylphenyl)-2,5-dinaphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 167233971

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The IUPAC name of N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine (CID 165036325) is N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine.
What is the SMILES notation for N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The canonical SMILES for N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c6ccccc6n(-c6ccccc6)c45)c(N(c4ccc(-c5cccc6ccccc56)cc4)c4ccc(-c5cccc6ccccc56)cc4)cc32)cc1.
What is the InChIKey of N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine?
The InChIKey is HOHMALRGJWHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H45N3/c1-3-22-50(23-4-1)70-64-34-13-12-29-59(64)62-44-63(61-33-17-32-60-58-28-11-14-35-65(58)71(68(60)61)51-24-5-2-6-25-51)66(45-67(62)70)69(52-40-36-48(37-41-52)56-30-15-20-46-18-7-9-26-54(46)56)53-42-38-49(39-43-53)57-31-16-21-47-19-8-10-27-55(47)57/h1-45H.
What are the key properties of N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine?
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine has a molecular weight of 904.13 g/mol, XLogP of 18.66, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-naphthalen-1-ylphenyl)-9-phenyl-3-(9-phenylcarbazol-1-yl)carbazol-2-amine is sourced from PubChem (CID 165036325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).