N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine

C68H46N4 — CID 175613227

IUPACN,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)cc3)cc2)c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C68H46N4/c1-5-17-53(18-6-1)69(59-40-34-50-45-67-64(44-51(50)41-59)62-26-14-16-28-66(62)71(67)55-21-9-3-10-22-55)57-35-29-47(30-36-57)48-31-37-58(38-32-48)70(54-19-7-2-8-20-54)60-39-33-49-43-63-61-25-13-15-27-65(61)72(56-23-11-4-12-24-56)68(63)46-52(49)42-60/h1-46H
InChIKeyISBIHPPQWWBKKO-UHFFFAOYSA-N
MW919.14 g/mol
LogP18.79
Rot. Bonds9

About N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine

N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine (PubChem CID 175613227) has the molecular formula C68H46N4 and a molecular weight of 919.14 g/mol. Its IUPAC name is N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine.

Molecular Properties

Compound NameN,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
PubChem CID175613227
Molecular FormulaC68H46N4
Molecular Weight919.14 g/mol
Exact Mass918.37
IUPAC NameN,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine
SMILESc1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)cc3)cc2)c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ccccc2)cc1
InChIInChI=1S/C68H46N4/c1-5-17-53(18-6-1)69(59-40-34-50-45-67-64(44-51(50)41-59)62-26-14-16-28-66(62)71(67)55-21-9-3-10-22-55)57-35-29-47(30-36-57)48-31-37-58(38-32-48)70(54-19-7-2-8-20-54)60-39-33-49-43-63-61-25-13-15-27-65(61)72(56-23-11-4-12-24-56)68(63)46-52(49)42-60/h1-46H
InChIKeyISBIHPPQWWBKKO-UHFFFAOYSA-N
XLogP18.79
TPSA16.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500919.14
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,5-diphenyl-N-(4-phenylphenyl)benzo[b]carbazol-9-amine
CID 166847645
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
N-(4-naphthalen-1-ylphenyl)-5-phenyl-N-(4-phenylphenyl)benzo[b]carbazol-8-amine
CID 155034274
N,10-diphenyl-N-(4-phenylphenyl)-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-amine
CID 158437493
1-N,1-N-diphenyl-4-N-(10-phenyl-10-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaen-17-yl)-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157300261
5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-8-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-9-amine;5-phenyl-N,N-bis(4-phenylphenyl)benzo[b]carbazol-10-amine
CID 160726392
9-phenyl-N-(16-phenyl-6-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 166032415
N,9-diphenyl-N-[7-(7-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-3-amine
CID 174257818
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
N-[4-[2-(4-benzo[b]carbazol-5-ylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 134380685
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N-[4-(7-benzo[b]carbazol-5-ylnaphthalen-2-yl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170363145

Frequently Asked Questions

What is the IUPAC name of N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine?
The IUPAC name of N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine (CID 175613227) is N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine.
What is the SMILES notation for N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine?
The canonical SMILES for N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine is c1ccc(N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5cc6c7ccccc7n(-c7ccccc7)c6cc5c4)cc3)cc2)c2ccc3cc4c(cc3c2)c2ccccc2n4-c2ccccc2)cc1.
What is the InChIKey of N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine?
The InChIKey is ISBIHPPQWWBKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H46N4/c1-5-17-53(18-6-1)69(59-40-34-50-45-67-64(44-51(50)41-59)62-26-14-16-28-66(62)71(67)55-21-9-3-10-22-55)57-35-29-47(30-36-57)48-31-37-58(38-32-48)70(54-19-7-2-8-20-54)60-39-33-49-43-63-61-25-13-15-27-65(61)72(56-23-11-4-12-24-56)68(63)46-52(49)42-60/h1-46H.
What are the key properties of N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine?
N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine has a molecular weight of 919.14 g/mol, XLogP of 18.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diphenyl-N-[4-[4-(N-(5-phenylbenzo[b]carbazol-9-yl)anilino)phenyl]phenyl]benzo[b]carbazol-8-amine is sourced from PubChem (CID 175613227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).