N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine

C57H42N2 — CID 170119634

IUPACN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21
InChIInChI=1S/C57H42N2/c1-57(2)51-32-16-13-28-46(51)50-38-41(36-37-52(50)57)58(55-35-19-31-49-48-30-15-18-34-54(48)59(56(49)55)40-22-7-4-8-23-40)53-33-17-14-29-47(53)45-27-12-11-26-44(45)43-25-10-9-24-42(43)39-20-5-3-6-21-39/h3-38H,1-2H3
InChIKeyUSVGDPBOROPROW-UHFFFAOYSA-N
MW754.98 g/mol
LogP15.56
Rot. Bonds7

About N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine

N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine (PubChem CID 170119634) has the molecular formula C57H42N2 and a molecular weight of 754.98 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
PubChem CID170119634
Molecular FormulaC57H42N2
Molecular Weight754.98 g/mol
Exact Mass754.33
IUPAC NameN-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21
InChIInChI=1S/C57H42N2/c1-57(2)51-32-16-13-28-46(51)50-38-41(36-37-52(50)57)58(55-35-19-31-49-48-30-15-18-34-54(48)59(56(49)55)40-22-7-4-8-23-40)53-33-17-14-29-47(53)45-27-12-11-26-44(45)43-25-10-9-24-42(43)39-20-5-3-6-21-39/h3-38H,1-2H3
InChIKeyUSVGDPBOROPROW-UHFFFAOYSA-N
XLogP15.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.98
LogP ≤ 515.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-N,9-diphenylcarbazol-1-amine
CID 155004339
N-(9-methyl-9-phenylfluoren-2-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine
CID 170119206
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 167286124
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212
N-[2-(9,9-dimethylfluoren-3-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168790539
3-(9,9-dimethylfluoren-3-yl)-N-[2-(9-phenylcarbazol-1-yl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170665708
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168790284
N-(4-carbazol-9-ylphenyl)-N-[2-(2-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-3'-amine
CID 135167391
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[8-[9-(3-phenylphenyl)carbazol-1-yl]naphthalen-1-yl]phenyl]fluoren-3-amine
CID 169016086
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-3-amine
CID 168789107
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-1-amine
CID 170304142

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine (CID 170119634) is N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3-c3ccccc3-c3ccccc3-c3ccccc3)c3cccc4c5ccccc5n(-c5ccccc5)c34)ccc21.
What is the InChIKey of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine?
The InChIKey is USVGDPBOROPROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H42N2/c1-57(2)51-32-16-13-28-46(51)50-38-41(36-37-52(50)57)58(55-35-19-31-49-48-30-15-18-34-54(48)59(56(49)55)40-22-7-4-8-23-40)53-33-17-14-29-47(53)45-27-12-11-26-44(45)43-25-10-9-24-42(43)39-20-5-3-6-21-39/h3-38H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine?
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine has a molecular weight of 754.98 g/mol, XLogP of 15.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-1-amine is sourced from PubChem (CID 170119634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).