N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine

C52H35N3 — CID 121343805

IUPACN-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc7ccccc7c6)c(-c6ccccc6)c5)cc4c4cc5c(cc43)[nH]c3ccccc35)cc2)cc1
InChIInChI=1S/C52H35N3/c1-3-11-34(12-4-1)36-20-25-42(26-21-36)55-51-28-23-40(31-46(51)47-32-45-43-17-9-10-18-48(43)54-50(45)33-52(47)55)39-22-27-49(44(30-39)37-14-5-2-6-15-37)53-41-24-19-35-13-7-8-16-38(35)29-41/h1-33,53-54H
InChIKeyCNKLEIMISBIDRZ-UHFFFAOYSA-N
MW701.87 g/mol
LogP14.32
Rot. Bonds6

About N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine

N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine (PubChem CID 121343805) has the molecular formula C52H35N3 and a molecular weight of 701.87 g/mol. Its IUPAC name is N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine
PubChem CID121343805
Molecular FormulaC52H35N3
Molecular Weight701.87 g/mol
Exact Mass701.28
IUPAC NameN-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine
SMILESc1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc7ccccc7c6)c(-c6ccccc6)c5)cc4c4cc5c(cc43)[nH]c3ccccc35)cc2)cc1
InChIInChI=1S/C52H35N3/c1-3-11-34(12-4-1)36-20-25-42(26-21-36)55-51-28-23-40(31-46(51)47-32-45-43-17-9-10-18-48(43)54-50(45)33-52(47)55)39-22-27-49(44(30-39)37-14-5-2-6-15-37)53-41-24-19-35-13-7-8-16-38(35)29-41/h1-33,53-54H
InChIKeyCNKLEIMISBIDRZ-UHFFFAOYSA-N
XLogP14.32
TPSA32.75 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500701.87
LogP ≤ 514.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-[3-(6-methylcyclohexa-1,3-dien-1-yl)phenyl]-7H-indolo[2,3-b]carbazol-2-yl]-N,2-diphenylaniline
CID 121344049
9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
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1-N-phenyl-4-N-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(4-phenylphenyl)benzene-1,4-diamine
CID 175396320
4-(9H-carbazol-3-yl)-N-phenyl-2-[4-(3-phenylphenyl)phenyl]aniline
CID 121262045
N-[4-(2-naphthalen-2-ylbenzo[h]quinazolin-4-yl)phenyl]-2-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 144780424
2-phenyl-4-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)aniline
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9-(4-naphthalen-1-ylphenyl)-3-(4-naphthalen-2-ylphenyl)-6-phenylcarbazole
CID 177074708
2-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;3-naphthalen-2-yl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline;N-(4-naphthalen-2-ylphenyl)-2-(9-phenylcarbazol-3-yl)aniline;N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-3-yl)aniline
CID 158992655
N-[2-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]dibenzothiophen-2-amine
CID 126700453
N-(3,5-diphenylphenyl)-2-phenyl-4-[9-(4-phenylphenyl)carbazol-2-yl]aniline
CID 163918921
3-[9-(4-naphthalen-1-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158169511

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine?
The IUPAC name of N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine (CID 121343805) is N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine?
The canonical SMILES for N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine is c1ccc(-c2ccc(-n3c4ccc(-c5ccc(Nc6ccc7ccccc7c6)c(-c6ccccc6)c5)cc4c4cc5c(cc43)[nH]c3ccccc35)cc2)cc1.
What is the InChIKey of N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine?
The InChIKey is CNKLEIMISBIDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3/c1-3-11-34(12-4-1)36-20-25-42(26-21-36)55-51-28-23-40(31-46(51)47-32-45-43-17-9-10-18-48(43)54-50(45)33-52(47)55)39-22-27-49(44(30-39)37-14-5-2-6-15-37)53-41-24-19-35-13-7-8-16-38(35)29-41/h1-33,53-54H.
What are the key properties of N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine?
N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine has a molecular weight of 701.87 g/mol, XLogP of 14.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-4-[5-(4-phenylphenyl)-7H-indolo[2,3-b]carbazol-2-yl]phenyl]naphthalen-2-amine is sourced from PubChem (CID 121343805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).