N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine

C66H48N4 — CID 163999771

IUPACN,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C66H48N4/c1-45-28-32-49(33-29-45)67(50-34-30-46(2)31-35-50)53-36-39-65-60(43-53)58-24-11-13-26-62(58)69(65)51-20-15-21-52(42-51)70-63-27-14-12-25-59(63)61-44-54(37-40-66(61)70)68(48-18-7-4-8-19-48)64-41-38-55(47-16-5-3-6-17-47)56-22-9-10-23-57(56)64/h3-44H,1-2H3
InChIKeyUHYBAPGUPVWJNB-UHFFFAOYSA-N
MW897.14 g/mol
LogP18.26
Rot. Bonds9

About N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine

N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine (PubChem CID 163999771) has the molecular formula C66H48N4 and a molecular weight of 897.14 g/mol. Its IUPAC name is N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine.

Molecular Properties

Compound NameN,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine
PubChem CID163999771
Molecular FormulaC66H48N4
Molecular Weight897.14 g/mol
Exact Mass896.39
IUPAC NameN,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)ccc43)c2)cc1
InChIInChI=1S/C66H48N4/c1-45-28-32-49(33-29-45)67(50-34-30-46(2)31-35-50)53-36-39-65-60(43-53)58-24-11-13-26-62(58)69(65)51-20-15-21-52(42-51)70-63-27-14-12-25-59(63)61-44-54(37-40-66(61)70)68(48-18-7-4-8-19-48)64-41-38-55(47-16-5-3-6-17-47)56-22-9-10-23-57(56)64/h3-44H,1-2H3
InChIKeyUHYBAPGUPVWJNB-UHFFFAOYSA-N
XLogP18.26
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.14
LogP ≤ 518.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-N-naphthalen-2-yl-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine;N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 158479839
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-N-naphthalen-1-yl-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine;N-naphthalen-1-yl-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 162093292
N-[4-[4-(4-methyl-N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine;N-naphthalen-2-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 161206172
N-(3-methylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)naphthalen-1-amine
CID 118282615
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
N-(4-methylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 153303724
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-naphthalen-1-yl-9-phenyl-N-[4-[4-(4-phenyl-N-(3-phenylphenyl)anilino)phenyl]naphthalen-1-yl]carbazol-3-amine
CID 59181391
1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)-1-N-(2-phenylphenyl)-3-N-[3-(N-(2-phenylphenyl)anilino)phenyl]benzene-1,3-diamine
CID 177275849
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine;N-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]triphenylen-2-amine
CID 161411936

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine?
The IUPAC name of N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine (CID 163999771) is N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine.
What is the SMILES notation for N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine?
The canonical SMILES for N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine is Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2cccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)c6ccccc56)ccc43)c2)cc1.
What is the InChIKey of N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine?
The InChIKey is UHYBAPGUPVWJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H48N4/c1-45-28-32-49(33-29-45)67(50-34-30-46(2)31-35-50)53-36-39-65-60(43-53)58-24-11-13-26-62(58)69(65)51-20-15-21-52(42-51)70-63-27-14-12-25-59(63)61-44-54(37-40-66(61)70)68(48-18-7-4-8-19-48)64-41-38-55(47-16-5-3-6-17-47)56-22-9-10-23-57(56)64/h3-44H,1-2H3.
What are the key properties of N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine?
N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine has a molecular weight of 897.14 g/mol, XLogP of 18.26, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-methylphenyl)-9-[3-[3-(N-(4-phenylnaphthalen-1-yl)anilino)carbazol-9-yl]phenyl]carbazol-3-amine is sourced from PubChem (CID 163999771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).