9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine

C48H42N2 — CID 176850918

IUPAC9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc4c5ccccc5n(C(C)(C)C)c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C48H42N2/c1-31-15-14-21-40-45(31)39-27-25-34(29-41(39)48(40,5)6)49(43-28-23-32-16-10-11-19-36(32)46(43)33-17-8-7-9-18-33)35-24-26-38-37-20-12-13-22-42(37)50(44(38)30-35)47(2,3)4/h7-30H,1-6H3
InChIKeyDDKPXEKFLUZGFF-UHFFFAOYSA-N
MW646.88 g/mol
LogP13.45
Rot. Bonds4

About 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine

9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine (PubChem CID 176850918) has the molecular formula C48H42N2 and a molecular weight of 646.88 g/mol. Its IUPAC name is 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine.

Molecular Properties

Compound Name9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
PubChem CID176850918
Molecular FormulaC48H42N2
Molecular Weight646.88 g/mol
Exact Mass646.33
IUPAC Name9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine
SMILESCc1cccc2c1-c1ccc(N(c3ccc4c5ccccc5n(C(C)(C)C)c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C
InChIInChI=1S/C48H42N2/c1-31-15-14-21-40-45(31)39-27-25-34(29-41(39)48(40,5)6)49(43-28-23-32-16-10-11-19-36(32)46(43)33-17-8-7-9-18-33)35-24-26-38-37-20-12-13-22-42(37)50(44(38)30-35)47(2,3)4/h7-30H,1-6H3
InChIKeyDDKPXEKFLUZGFF-UHFFFAOYSA-N
XLogP13.45
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.88
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,9,9-trimethyl-N-(1-phenylnaphthalen-2-yl)-N-(4-phenylphenyl)fluoren-2-amine
CID 171740895
N-[4-(9-tert-butylcarbazol-2-yl)phenyl]-1-phenyl-N-(4-phenylphenyl)naphthalen-2-amine
CID 176851039
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 170417565
9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)-N,5-bis(4-phenylphenyl)fluoren-2-amine
CID 170417648
N-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-(1-phenylnaphthalen-2-yl)fluoren-2-amine
CID 166048517
1-N-(9,9-dimethylfluoren-2-yl)-4-N-phenyl-4-N-(1-phenylnaphthalen-2-yl)-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 176611732
9,9-dimethyl-N-(1-naphthalen-2-ylnaphthalen-2-yl)-5-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170417611
N-(3,4-diphenylphenyl)-5-methyl-9-phenyl-N-(1-phenylnaphthalen-2-yl)carbazol-2-amine
CID 177128321
5,9,9-trimethyl-N-phenyl-N-[3-(2-phenylphenyl)naphthalen-2-yl]fluoren-2-amine
CID 171741066
N-(5-methyl-9,9-diphenylfluoren-2-yl)-N-(1-phenylnaphthalen-2-yl)dibenzothiophen-2-amine
CID 171740916
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[4-[naphthalen-2-yl-(1-phenylnaphthalen-2-yl)amino]phenyl]phenyl]fluoren-2-amine
CID 176611821
9,9-dimethyl-N,5-diphenyl-N-[3-(1-phenylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170417792

Frequently Asked Questions

What is the IUPAC name of 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine?
The IUPAC name of 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine (CID 176850918) is 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine.
What is the SMILES notation for 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine?
The canonical SMILES for 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine is Cc1cccc2c1-c1ccc(N(c3ccc4c5ccccc5n(C(C)(C)C)c4c3)c3ccc4ccccc4c3-c3ccccc3)cc1C2(C)C.
What is the InChIKey of 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine?
The InChIKey is DDKPXEKFLUZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H42N2/c1-31-15-14-21-40-45(31)39-27-25-34(29-41(39)48(40,5)6)49(43-28-23-32-16-10-11-19-36(32)46(43)33-17-8-7-9-18-33)35-24-26-38-37-20-12-13-22-42(37)50(44(38)30-35)47(2,3)4/h7-30H,1-6H3.
What are the key properties of 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine?
9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine has a molecular weight of 646.88 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-tert-butyl-N-(1-phenylnaphthalen-2-yl)-N-(5,9,9-trimethylfluoren-2-yl)carbazol-2-amine is sourced from PubChem (CID 176850918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).