N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

C69H46N2O2 — CID 126702847

IUPACN-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)cc5)ccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21
InChIInChI=1S/C69H46N2O2/c1-69(2)59-21-9-6-16-52(59)56-41-58-57-40-47(32-39-61(57)71(63(58)42-60(56)69)50-37-30-46(31-38-50)51-19-12-20-54-53-17-7-10-23-64(53)73-68(51)54)45-28-35-49(36-29-45)70(48-33-26-44(27-34-48)43-14-4-3-5-15-43)62-22-13-25-66-67(62)55-18-8-11-24-65(55)72-66/h3-42H,1-2H3
InChIKeyIXCZBXQBDFUVTO-UHFFFAOYSA-N
MW935.14 g/mol
LogP19.36
Rot. Bonds7

About N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine

N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (PubChem CID 126702847) has the molecular formula C69H46N2O2 and a molecular weight of 935.14 g/mol. Its IUPAC name is N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
PubChem CID126702847
Molecular FormulaC69H46N2O2
Molecular Weight935.14 g/mol
Exact Mass934.36
IUPAC NameN-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine
SMILESCC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)cc5)ccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21
InChIInChI=1S/C69H46N2O2/c1-69(2)59-21-9-6-16-52(59)56-41-58-57-40-47(32-39-61(57)71(63(58)42-60(56)69)50-37-30-46(31-38-50)51-19-12-20-54-53-17-7-10-23-64(53)73-68(51)54)45-28-35-49(36-29-45)70(48-33-26-44(27-34-48)43-14-4-3-5-15-43)62-22-13-25-66-67(62)55-18-8-11-24-65(55)72-66/h3-42H,1-2H3
InChIKeyIXCZBXQBDFUVTO-UHFFFAOYSA-N
XLogP19.36
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500935.14
LogP ≤ 519.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-[4-(7,7-dimethyl-5-phenylindeno[2,1-b]carbazol-2-yl)phenyl]dibenzothiophen-1-amine
CID 126702856
5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 138744027
N,N-bis(9,9-dimethylfluoren-2-yl)dibenzofuran-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine;ethane
CID 157195267
N-(9,9-dimethylfluoren-4-yl)-N-[4-[8-[9,9-dimethyl-7-[N-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-4-(4-phenylphenyl)anilino]fluoren-3-yl]dibenzofuran-4-yl]phenyl]-8-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine
CID 167095022
N-dibenzofuran-3-yl-8-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)dibenzofuran-1-amine;N-(9,9-dimethylfluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 165012429
7-dibenzofuran-4-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 157365296
3-dibenzofuran-2-yl-9-(4-dibenzofuran-4-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)carbazole
CID 121449411
7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline;4-(4-carbazol-9-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159597633
10-[7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazol-2-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
CID 134223734
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-(4-methylphenyl)-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-phenyl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine
CID 158985541
N-[4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 90207163
7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-9-phenylcarbazol-3-amine;N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-naphthalen-1-yl-7-(9-phenylcarbazol-3-yl)fluoren-2-amine;N-(4-dibenzofuran-4-ylphenyl)-9-phenyl-N-(9-phenylcarbazol-3-yl)carbazol-2-amine
CID 161094589

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine (CID 126702847) is N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is CC1(C)c2ccccc2-c2cc3c4cc(-c5ccc(N(c6ccc(-c7ccccc7)cc6)c6cccc7oc8ccccc8c67)cc5)ccc4n(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)c3cc21.
What is the InChIKey of N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
The InChIKey is IXCZBXQBDFUVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H46N2O2/c1-69(2)59-21-9-6-16-52(59)56-41-58-57-40-47(32-39-61(57)71(63(58)42-60(56)69)50-37-30-46(31-38-50)51-19-12-20-54-53-17-7-10-23-64(53)73-68(51)54)45-28-35-49(36-29-45)70(48-33-26-44(27-34-48)43-14-4-3-5-15-43)62-22-13-25-66-67(62)55-18-8-11-24-65(55)72-66/h3-42H,1-2H3.
What are the key properties of N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine?
N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine has a molecular weight of 935.14 g/mol, XLogP of 19.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(4-dibenzofuran-4-ylphenyl)-7,7-dimethylindeno[2,1-b]carbazol-2-yl]phenyl]-N-(4-phenylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 126702847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).