N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine

C72H49N5 — CID 122424896

IUPACN,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc(-c8cccc9c8nc(-c8ccccc8)n9-c8ccccc8)c7)cc6)c6cccc7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1
InChIInChI=1S/C72H49N5/c1-5-21-53(22-6-1)71-73-69-64(35-18-38-67(69)76(71)59-30-9-3-10-31-59)57-28-15-26-55(48-57)50-40-44-61(45-41-50)75(66-37-17-25-52-20-13-14-34-63(52)66)62-46-42-51(43-47-62)56-27-16-29-58(49-56)65-36-19-39-68-70(65)74-72(54-23-7-2-8-24-54)77(68)60-32-11-4-12-33-60/h1-49H
InChIKeyAFHDIXHWWPVFGJ-UHFFFAOYSA-N
MW984.22 g/mol
LogP18.99
Rot. Bonds11

About N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine

N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine (PubChem CID 122424896) has the molecular formula C72H49N5 and a molecular weight of 984.22 g/mol. Its IUPAC name is N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine.

Molecular Properties

Compound NameN,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
PubChem CID122424896
Molecular FormulaC72H49N5
Molecular Weight984.22 g/mol
Exact Mass983.40
IUPAC NameN,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine
SMILESc1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc(-c8cccc9c8nc(-c8ccccc8)n9-c8ccccc8)c7)cc6)c6cccc7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1
InChIInChI=1S/C72H49N5/c1-5-21-53(22-6-1)71-73-69-64(35-18-38-67(69)76(71)59-30-9-3-10-31-59)57-28-15-26-55(48-57)50-40-44-61(45-41-50)75(66-37-17-25-52-20-13-14-34-63(52)66)62-46-42-51(43-47-62)56-27-16-29-58(49-56)65-36-19-39-68-70(65)74-72(54-23-7-2-8-24-54)77(68)60-32-11-4-12-33-60/h1-49H
InChIKeyAFHDIXHWWPVFGJ-UHFFFAOYSA-N
XLogP18.99
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500984.22
LogP ≤ 518.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 122425006
N-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
N-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]naphthalen-1-amine
CID 126627984
N-[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(1,2-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-4-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-[4-[3-(2,3-diphenylbenzimidazol-5-yl)phenyl]phenyl]-N-phenanthren-9-ylphenanthren-9-amine;N-phenanthren-9-yl-N-[4-[3-(2-phenylbenzimidazol-1-yl)phenyl]phenyl]phenanthren-9-amine
CID 159583043
2-[3-(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 118505760
N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 67472370
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-naphthalen-1-yl-N-[3-[2-[9-[4-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]phenyl]naphthalen-2-amine
CID 118337362
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(3-naphthalen-1-ylphenyl)phenyl]-4-[3-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 118901515
4-naphthalen-1-yl-N-phenyl-N-[4-(3-phenylbenzo[e]benzimidazol-2-yl)phenyl]aniline
CID 163469536

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine?
The IUPAC name of N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine (CID 122424896) is N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine.
What is the SMILES notation for N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine?
The canonical SMILES for N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine is c1ccc(-c2nc3c(-c4cccc(-c5ccc(N(c6ccc(-c7cccc(-c8cccc9c8nc(-c8ccccc8)n9-c8ccccc8)c7)cc6)c6cccc7ccccc67)cc5)c4)cccc3n2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine?
The InChIKey is AFHDIXHWWPVFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H49N5/c1-5-21-53(22-6-1)71-73-69-64(35-18-38-67(69)76(71)59-30-9-3-10-31-59)57-28-15-26-55(48-57)50-40-44-61(45-41-50)75(66-37-17-25-52-20-13-14-34-63(52)66)62-46-42-51(43-47-62)56-27-16-29-58(49-56)65-36-19-39-68-70(65)74-72(54-23-7-2-8-24-54)77(68)60-32-11-4-12-33-60/h1-49H.
What are the key properties of N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine?
N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine has a molecular weight of 984.22 g/mol, XLogP of 18.99, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-[3-(1,2-diphenylbenzimidazol-4-yl)phenyl]phenyl]naphthalen-1-amine is sourced from PubChem (CID 122424896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).