9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

C69H58N2 — CID 90085878

IUPAC9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C69H58N2/c1-3-5-43-69(44-6-4-2)65-47-57(39-41-61(65)62-42-40-58(48-66(62)69)71-67-33-17-15-31-63(67)64-32-16-18-34-68(64)71)70(55-37-35-50(36-38-55)53-26-19-25-52(45-53)49-21-9-7-10-22-49)56-28-20-27-54(46-56)60-30-14-13-29-59(60)51-23-11-8-12-24-51/h7-42,45-48H,3-6,43-44H2,1-2H3
InChIKeyGGQCJYQMTTVUKC-UHFFFAOYSA-N
MW915.24 g/mol
LogP19.57
Rot. Bonds14

About 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine

9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (PubChem CID 90085878) has the molecular formula C69H58N2 and a molecular weight of 915.24 g/mol. Its IUPAC name is 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
PubChem CID90085878
Molecular FormulaC69H58N2
Molecular Weight915.24 g/mol
Exact Mass914.46
IUPAC Name9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
SMILESCCCCC1(CCCC)c2cc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C69H58N2/c1-3-5-43-69(44-6-4-2)65-47-57(39-41-61(65)62-42-40-58(48-66(62)69)71-67-33-17-15-31-63(67)64-32-16-18-34-68(64)71)70(55-37-35-50(36-38-55)53-26-19-25-52(45-53)49-21-9-7-10-22-49)56-28-20-27-54(46-56)60-30-14-13-29-59(60)51-23-11-8-12-24-51/h7-42,45-48H,3-6,43-44H2,1-2H3
InChIKeyGGQCJYQMTTVUKC-UHFFFAOYSA-N
XLogP19.57
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.24
LogP ≤ 519.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dibutyl-7-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389946
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389919
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[4-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 58389884
7-carbazol-9-yl-9,9-dimethyl-N,N-bis[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390067
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390079
9,9-dioctyl-2-N,7-N-diphenyl-2-N,7-N-bis[4-[4-[4-(3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]anilino]phenyl]phenyl]fluorene-2,7-diamine
CID 59566452
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58390142
7-carbazol-9-yl-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 58390128
N-phenyl-3-(4-phenylphenyl)-N-[4-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline
CID 118103101
7-carbazol-9-yl-9,9-dimethyl-N-[2-(2-phenylphenyl)phenyl]-N-[3-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 58389925
9,9-dimethyl-N-(3-naphthalen-1-yl-4-phenylphenyl)-N-phenyl-7-(3-phenylcarbazol-9-yl)fluoren-2-amine
CID 90085898

Frequently Asked Questions

What is the IUPAC name of 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine (CID 90085878) is 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is CCCCC1(CCCC)c2cc(N(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)c3cccc(-c4ccccc4-c4ccccc4)c3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
The InChIKey is GGQCJYQMTTVUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H58N2/c1-3-5-43-69(44-6-4-2)65-47-57(39-41-61(65)62-42-40-58(48-66(62)69)71-67-33-17-15-31-63(67)64-32-16-18-34-68(64)71)70(55-37-35-50(36-38-55)53-26-19-25-52(45-53)49-21-9-7-10-22-49)56-28-20-27-54(46-56)60-30-14-13-29-59(60)51-23-11-8-12-24-51/h7-42,45-48H,3-6,43-44H2,1-2H3.
What are the key properties of 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine?
9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine has a molecular weight of 915.24 g/mol, XLogP of 19.57, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dibutyl-7-carbazol-9-yl-N-[3-(2-phenylphenyl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine is sourced from PubChem (CID 90085878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).