N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine

C63H56N2 — CID 170304031

IUPACN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C63H56N2/c1-61(2,3)43-37-42(38-44(39-43)62(4,5)6)47-28-18-21-41-22-19-29-51(59(41)47)50-26-13-16-31-55(50)65(46-35-36-49-48-25-12-15-30-53(48)63(7,8)54(49)40-46)58-34-20-33-57-60(58)52-27-14-17-32-56(52)64(57)45-23-10-9-11-24-45/h9-40H,1-8H3
InChIKeyFIVOGIPYCKHRTM-UHFFFAOYSA-N
MW841.16 g/mol
LogP17.64
Rot. Bonds6

About N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine (PubChem CID 170304031) has the molecular formula C63H56N2 and a molecular weight of 841.16 g/mol. Its IUPAC name is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine.

Molecular Properties

Compound NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
PubChem CID170304031
Molecular FormulaC63H56N2
Molecular Weight841.16 g/mol
Exact Mass840.44
IUPAC NameN-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine
SMILESCC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc(C(C)(C)C)c1
InChIInChI=1S/C63H56N2/c1-61(2,3)43-37-42(38-44(39-43)62(4,5)6)47-28-18-21-41-22-19-29-51(59(41)47)50-26-13-16-31-55(50)65(46-35-36-49-48-25-12-15-30-53(48)63(7,8)54(49)40-46)58-34-20-33-57-60(58)52-27-14-17-32-56(52)64(57)45-23-10-9-11-24-45/h9-40H,1-8H3
InChIKeyFIVOGIPYCKHRTM-UHFFFAOYSA-N
XLogP17.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.16
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170304052
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170304094
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170293567
N-(4-tert-butylphenyl)-2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298373
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
N-(3,5-ditert-butylphenyl)-9,9-dimethyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170291586
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-9,9-dimethyl-N-(9-methyl-9-phenylfluoren-4-yl)fluoren-2-amine
CID 170303967
2-(9,9-dimethylfluoren-2-yl)-N-[3-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304316
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-5-naphthalen-1-yl-2-phenyl-N-[4-(9-phenylcarbazol-4-yl)phenyl]aniline
CID 170298322
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 155205825
3,5-ditert-butyl-N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 170298338

Frequently Asked Questions

What is the IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The IUPAC name of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine (CID 170304031) is N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine.
What is the SMILES notation for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The canonical SMILES for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine is CC(C)(C)c1cc(-c2cccc3cccc(-c4ccccc4N(c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc(C(C)(C)C)c1.
What is the InChIKey of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
The InChIKey is FIVOGIPYCKHRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H56N2/c1-61(2,3)43-37-42(38-44(39-43)62(4,5)6)47-28-18-21-41-22-19-29-51(59(41)47)50-26-13-16-31-55(50)65(46-35-36-49-48-25-12-15-30-53(48)63(7,8)54(49)40-46)58-34-20-33-57-60(58)52-27-14-17-32-56(52)64(57)45-23-10-9-11-24-45/h9-40H,1-8H3.
What are the key properties of N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine?
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine has a molecular weight of 841.16 g/mol, XLogP of 17.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-4-amine is sourced from PubChem (CID 170304031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).