N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

C72H47N3 — CID 121311226

IUPACN-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C72H47N3/c1-2-21-59(22-3-1)73(68-28-14-20-51-17-8-9-23-63(51)68)60-35-29-50(30-36-60)56-41-57(54-33-39-71-66(46-54)64-24-10-12-26-69(64)74(71)61-37-31-48-15-4-6-18-52(48)44-61)43-58(42-56)55-34-40-72-67(47-55)65-25-11-13-27-70(65)75(72)62-38-32-49-16-5-7-19-53(49)45-62/h1-47H
InChIKeyYUVAFTWHVAKBOM-UHFFFAOYSA-N
MW954.19 g/mol
LogP19.81
Rot. Bonds8

About N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine

N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (PubChem CID 121311226) has the molecular formula C72H47N3 and a molecular weight of 954.19 g/mol. Its IUPAC name is N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
PubChem CID121311226
Molecular FormulaC72H47N3
Molecular Weight954.19 g/mol
Exact Mass953.38
IUPAC NameN-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine
SMILESc1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c3)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C72H47N3/c1-2-21-59(22-3-1)73(68-28-14-20-51-17-8-9-23-63(51)68)60-35-29-50(30-36-60)56-41-57(54-33-39-71-66(46-54)64-24-10-12-26-69(64)74(71)61-37-31-48-15-4-6-18-52(48)44-61)43-58(42-56)55-34-40-72-67(47-55)65-25-11-13-27-70(65)75(72)62-38-32-49-16-5-7-19-53(49)45-62/h1-47H
InChIKeyYUVAFTWHVAKBOM-UHFFFAOYSA-N
XLogP19.81
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.19
LogP ≤ 519.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(4-carbazol-9-ylphenyl)-9-naphthalen-2-ylcarbazole;N-[4-[6-[4-(N-naphthalen-1-ylanilino)phenyl]-9-phenylcarbazol-3-yl]phenyl]-N-phenylnaphthalen-1-amine;4-[9-naphthalen-2-yl-6-[4-(N-phenylanilino)phenyl]carbazol-3-yl]-N,N-diphenylaniline;N-[4-[9-naphthalen-2-yl-6-[4-(N-(4-phenylphenyl)anilino)phenyl]carbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 158432139
N-[4-[4-[3,6-bis(4-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 118402405
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
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-phenyl-N-[4-[9-(4-triphenylen-2-ylphenyl)carbazol-3-yl]phenyl]naphthalen-1-amine
CID 89492126
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
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(3-phenylphenyl)-4-N-[9-(3-phenylphenyl)carbazol-3-yl]benzene-1,4-diamine
CID 177116835
N-(7-naphthalen-2-ylnaphthalen-1-yl)-N,9-diphenylcarbazol-3-amine
CID 176587933
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
9-(4-carbazol-9-ylphenyl)-N-naphthalen-1-yl-N-(4-phenylphenyl)carbazol-3-amine
CID 158694626
N-[3-[9-(3,5-diphenylphenyl)carbazol-3-yl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118087581

Frequently Asked Questions

What is the IUPAC name of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine (CID 121311226) is N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is c1ccc(N(c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)c3)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
The InChIKey is YUVAFTWHVAKBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H47N3/c1-2-21-59(22-3-1)73(68-28-14-20-51-17-8-9-23-63(51)68)60-35-29-50(30-36-60)56-41-57(54-33-39-71-66(46-54)64-24-10-12-26-69(64)74(71)61-37-31-48-15-4-6-18-52(48)44-61)43-58(42-56)55-34-40-72-67(47-55)65-25-11-13-27-70(65)75(72)62-38-32-49-16-5-7-19-53(49)45-62/h1-47H.
What are the key properties of N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine?
N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine has a molecular weight of 954.19 g/mol, XLogP of 19.81, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3,5-bis(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 121311226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).