N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C57H40N2O — CID 118405432

IUPACN-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc21
InChIInChI=1S/C57H40N2O/c1-57(2)50-35-40(38-15-7-4-8-16-38)23-31-45(50)46-32-30-44(36-51(46)57)58(41-24-21-39(22-25-41)37-13-5-3-6-14-37)42-26-28-43(29-27-42)59-52-19-11-9-18-49(52)55-53(59)34-33-48-47-17-10-12-20-54(47)60-56(48)55/h3-36H,1-2H3
InChIKeyMBKQOBSPJKFQJH-UHFFFAOYSA-N
MW768.96 g/mol
LogP15.79
Rot. Bonds6

About N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine

N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 118405432) has the molecular formula C57H40N2O and a molecular weight of 768.96 g/mol. Its IUPAC name is N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID118405432
Molecular FormulaC57H40N2O
Molecular Weight768.96 g/mol
Exact Mass768.31
IUPAC NameN-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc21
InChIInChI=1S/C57H40N2O/c1-57(2)50-35-40(38-15-7-4-8-16-38)23-31-45(50)46-32-30-44(36-51(46)57)58(41-24-21-39(22-25-41)37-13-5-3-6-14-37)42-26-28-43(29-27-42)59-52-19-11-9-18-49(52)55-53(59)34-33-48-47-17-10-12-20-54(47)60-56(48)55/h3-36H,1-2H3
InChIKeyMBKQOBSPJKFQJH-UHFFFAOYSA-N
XLogP15.79
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.96
LogP ≤ 515.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-5-[4-(N-phenylanilino)phenyl]-[1]benzofuro[3,2-c]carbazol-2-amine
CID 90050684
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
N-dibenzofuran-4-yl-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazol-3-amine
CID 58510703
N-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
N-[9,9-dimethyl-7-(9-phenylcarbazol-2-yl)fluoren-2-yl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-4-amine;N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-4-amine
CID 158810428
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N,N-diphenylaniline;4-[4-[N-(4-carbazol-9-ylphenyl)-4-(4-dibenzofuran-4-ylphenyl)anilino]phenyl]-N,N-diphenylaniline;N-[4-[4-(N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-N,9-diphenylcarbazol-3-amine;2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenyl-2-N-[4-(N-phenylanilino)phenyl]fluorene-2,7-diamine
CID 158626381
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-7-(9-phenylcarbazol-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213188
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-N,4-diphenylaniline
CID 130230934
7-carbazol-9-yl-N-[4-[3-[3-[4-(4-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]phenyl]phenyl]-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 88848908
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172

Frequently Asked Questions

What is the IUPAC name of N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 118405432) is N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6oc7ccccc7c6ccc54)cc3)cc21.
What is the InChIKey of N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is MBKQOBSPJKFQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H40N2O/c1-57(2)50-35-40(38-15-7-4-8-16-38)23-31-45(50)46-32-30-44(36-51(46)57)58(41-24-21-39(22-25-41)37-13-5-3-6-14-37)42-26-28-43(29-27-42)59-52-19-11-9-18-49(52)55-53(59)34-33-48-47-17-10-12-20-54(47)60-56(48)55/h3-36H,1-2H3.
What are the key properties of N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 768.96 g/mol, XLogP of 15.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 118405432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).