1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine

C70H47N3 — CID 129175591

IUPAC1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)c5)ccc43)cc2)cc1
InChIInChI=1S/C70H47N3/c1-2-14-48(15-3-1)53-26-33-60(34-27-53)73-69-25-13-12-24-67(69)68-46-58(32-39-70(68)73)59-44-65(71(61-35-28-49-16-4-8-20-54(49)40-61)62-36-29-50-17-5-9-21-55(50)41-62)47-66(45-59)72(63-37-30-51-18-6-10-22-56(51)42-63)64-38-31-52-19-7-11-23-57(52)43-64/h1-47H
InChIKeyGAHVSBWMPNTOOD-UHFFFAOYSA-N
MW930.17 g/mol
LogP19.67
Rot. Bonds9

About 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine

1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine (PubChem CID 129175591) has the molecular formula C70H47N3 and a molecular weight of 930.17 g/mol. Its IUPAC name is 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
PubChem CID129175591
Molecular FormulaC70H47N3
Molecular Weight930.17 g/mol
Exact Mass929.38
IUPAC Name1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)c5)ccc43)cc2)cc1
InChIInChI=1S/C70H47N3/c1-2-14-48(15-3-1)53-26-33-60(34-27-53)73-69-25-13-12-24-67(69)68-46-58(32-39-70(68)73)59-44-65(71(61-35-28-49-16-4-8-20-54(49)40-61)62-36-29-50-17-5-9-21-55(50)41-62)47-66(45-59)72(63-37-30-51-18-6-10-22-56(51)42-63)64-38-31-52-19-7-11-23-57(52)43-64/h1-47H
InChIKeyGAHVSBWMPNTOOD-UHFFFAOYSA-N
XLogP19.67
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.17
LogP ≤ 519.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(1-N,3-N-dinaphthalen-2-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine);1-N,3-N-diphenyl-1-N,3-N-bis(4-phenylphenyl)-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine
CID 159121295
N-(4-naphthalen-2-ylphenyl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 166956432
1-N,3-N-di(dibenzofuran-3-yl)-1-N,3-N-dinaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 129175587
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 129256040
3-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N,3-N-diphenyl-5-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162088224
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581
3,6-bis[4-(4-carbazol-9-ylphenyl)phenyl]-9-naphthalen-2-ylcarbazole;N,N-diphenyl-4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]-9-(4-phenylphenyl)carbazol-3-yl]phenyl]aniline
CID 159344155
N-(4-naphthalen-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 166956515
1-N,1-N,3-N,3-N-tetraphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 70645467
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 121311239
N-(4-carbazol-9-ylphenyl)-4-[6-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-yl]-N-phenylaniline
CID 59501688
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146579381

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?
The IUPAC name of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine (CID 129175591) is 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine.
What is the SMILES notation for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?
The canonical SMILES for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)cc(N(c6ccc7ccccc7c6)c6ccc7ccccc7c6)c5)ccc43)cc2)cc1.
What is the InChIKey of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?
The InChIKey is GAHVSBWMPNTOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N3/c1-2-14-48(15-3-1)53-26-33-60(34-27-53)73-69-25-13-12-24-67(69)68-46-58(32-39-70(68)73)59-44-65(71(61-35-28-49-16-4-8-20-54(49)40-61)62-36-29-50-17-5-9-21-55(50)41-62)47-66(45-59)72(63-37-30-51-18-6-10-22-56(51)42-63)64-38-31-52-19-7-11-23-57(52)43-64/h1-47H.
What are the key properties of 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine?
1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine has a molecular weight of 930.17 g/mol, XLogP of 19.67, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-N,3-N-tetranaphthalen-2-yl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine is sourced from PubChem (CID 129175591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).