N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine

C54H42N2 — CID 139567813

IUPACN-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc4c3C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C54H42N2/c1-53(2)45-26-11-8-21-39(45)43-24-15-29-48(51(43)53)56(49-30-16-25-44-40-22-9-12-27-46(40)54(3,4)52(44)49)38-20-14-17-35(33-38)36-31-32-42-41-23-10-13-28-47(41)55(50(42)34-36)37-18-6-5-7-19-37/h5-34H,1-4H3
InChIKeyIUKCZDSXYPFIJP-UHFFFAOYSA-N
MW718.94 g/mol
LogP14.53
Rot. Bonds5

About N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine

N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine (PubChem CID 139567813) has the molecular formula C54H42N2 and a molecular weight of 718.94 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
PubChem CID139567813
Molecular FormulaC54H42N2
Molecular Weight718.94 g/mol
Exact Mass718.33
IUPAC NameN-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc4c3C(C)(C)c3ccccc3-4)c21
InChIInChI=1S/C54H42N2/c1-53(2)45-26-11-8-21-39(45)43-24-15-29-48(51(43)53)56(49-30-16-25-44-40-22-9-12-27-46(40)54(3,4)52(44)49)38-20-14-17-35(33-38)36-31-32-42-41-23-10-13-28-47(41)55(50(42)34-36)37-18-6-5-7-19-37/h5-34H,1-4H3
InChIKeyIUKCZDSXYPFIJP-UHFFFAOYSA-N
XLogP14.53
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.94
LogP ≤ 514.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567831
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine
CID 176781274
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
2-(9,9-dimethylfluoren-4-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(2-phenylphenyl)phenyl]aniline
CID 170137615
N-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 139568029
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]fluoren-4-amine
CID 139567825
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-2-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304314
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine?
The IUPAC name of N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine (CID 139567813) is N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3cccc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c3)c3cccc4c3C(C)(C)c3ccccc3-4)c21.
What is the InChIKey of N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine?
The InChIKey is IUKCZDSXYPFIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H42N2/c1-53(2)45-26-11-8-21-39(45)43-24-15-29-48(51(43)53)56(49-30-16-25-44-40-22-9-12-27-46(40)54(3,4)52(44)49)38-20-14-17-35(33-38)36-31-32-42-41-23-10-13-28-47(41)55(50(42)34-36)37-18-6-5-7-19-37/h5-34H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine?
N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine has a molecular weight of 718.94 g/mol, XLogP of 14.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine is sourced from PubChem (CID 139567813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).