N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine

C49H42N2 — CID 176781274

IUPACN-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H42N2/c1-48(2,3)42-31-34(33-17-8-6-9-18-33)27-30-44(42)51(45-26-16-23-40-37-21-12-14-24-41(37)49(4,5)47(40)45)36-28-29-39-38-22-13-15-25-43(38)50(46(39)32-36)35-19-10-7-11-20-35/h6-32H,1-5H3
InChIKeyIPMIKOYRGRYJEF-UHFFFAOYSA-N
MW658.89 g/mol
LogP13.52
Rot. Bonds5

About N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine

N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine (PubChem CID 176781274) has the molecular formula C49H42N2 and a molecular weight of 658.89 g/mol. Its IUPAC name is N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine
PubChem CID176781274
Molecular FormulaC49H42N2
Molecular Weight658.89 g/mol
Exact Mass658.33
IUPAC NameN-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine
SMILESCC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1cccc2c1C(C)(C)c1ccccc1-2
InChIInChI=1S/C49H42N2/c1-48(2,3)42-31-34(33-17-8-6-9-18-33)27-30-44(42)51(45-26-16-23-40-37-21-12-14-24-41(37)49(4,5)47(40)45)36-28-29-39-38-22-13-15-25-43(38)50(46(39)32-36)35-19-10-7-11-20-35/h6-32H,1-5H3
InChIKeyIPMIKOYRGRYJEF-UHFFFAOYSA-N
XLogP13.52
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.89
LogP ≤ 513.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-1-yl)-9,9-dimethyl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-1-amine
CID 139567813
N-(9,9-dimethylfluoren-1-yl)-9-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]carbazol-2-amine
CID 168789249
N-(9,9-dimethylfluoren-1-yl)-8-(9-phenylcarbazol-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 138484695
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 121285816
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-1-amine
CID 170142818
9,9-dimethyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 160631276
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358609
9-(9,9-dimethylfluoren-3-yl)-N-(9-phenylcarbazol-4-yl)-N-(3-phenylphenyl)carbazol-2-amine
CID 170286776
2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 170304124
9,9-dimethyl-N-(4-phenylphenyl)-N-[2-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]fluoren-2-amine
CID 118505806
9,9-dimethyl-N,N-bis[4-(9-phenylcarbazol-4-yl)phenyl]fluoren-1-amine
CID 121358604
N-[4-[4-[(9,9-dimethylfluoren-3-yl)-(9-phenylcarbazol-2-yl)amino]phenyl]phenyl]-N,9-diphenylcarbazol-2-amine
CID 134164505

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine?
The IUPAC name of N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine (CID 176781274) is N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine.
What is the SMILES notation for N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine?
The canonical SMILES for N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine is CC(C)(C)c1cc(-c2ccccc2)ccc1N(c1ccc2c3ccccc3n(-c3ccccc3)c2c1)c1cccc2c1C(C)(C)c1ccccc1-2.
What is the InChIKey of N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine?
The InChIKey is IPMIKOYRGRYJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H42N2/c1-48(2,3)42-31-34(33-17-8-6-9-18-33)27-30-44(42)51(45-26-16-23-40-37-21-12-14-24-41(37)49(4,5)47(40)45)36-28-29-39-38-22-13-15-25-43(38)50(46(39)32-36)35-19-10-7-11-20-35/h6-32H,1-5H3.
What are the key properties of N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine?
N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine has a molecular weight of 658.89 g/mol, XLogP of 13.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-phenylphenyl)-N-(9,9-dimethylfluoren-1-yl)-9-phenylcarbazol-2-amine is sourced from PubChem (CID 176781274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).