N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine

C51H38N2 — CID 167197133

IUPACN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)47-22-12-9-19-42(47)46-34-41(33-45(50(46)51)37-17-7-4-8-18-37)52(38-27-25-36(26-28-38)35-15-5-3-6-16-35)39-29-31-40(32-30-39)53-48-23-13-10-20-43(48)44-21-11-14-24-49(44)53/h3-34H,1-2H3
InChIKeyKAJQIRNXZWVFQD-UHFFFAOYSA-N
MW678.88 g/mol
LogP13.89
Rot. Bonds6

About N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine

N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine (PubChem CID 167197133) has the molecular formula C51H38N2 and a molecular weight of 678.88 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
PubChem CID167197133
Molecular FormulaC51H38N2
Molecular Weight678.88 g/mol
Exact Mass678.30
IUPAC NameN-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C51H38N2/c1-51(2)47-22-12-9-19-42(47)46-34-41(33-45(50(46)51)37-17-7-4-8-18-37)52(38-27-25-36(26-28-38)35-15-5-3-6-16-35)39-29-31-40(32-30-39)53-48-23-13-10-20-43(48)44-21-11-14-24-49(44)53/h3-34H,1-2H3
InChIKeyKAJQIRNXZWVFQD-UHFFFAOYSA-N
XLogP13.89
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.88
LogP ≤ 513.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethyl-1-phenylfluoren-3-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 167197123
N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
4-N-[4-[4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 66585196
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]aniline
CID 159107567
4-[3-[9-[4-(9,9-dimethylfluoren-3-yl)phenyl]carbazol-2-yl]phenyl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118505683
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 177287712
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-5-phenyl-N-(3-phenylphenyl)fluoren-3-amine
CID 169039615
3-[3-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-N,N-bis(4-phenylphenyl)aniline
CID 90185823
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[9-[3-[9-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-3-yl]phenyl]carbazol-3-yl]phenyl]fluoren-2-amine
CID 167287563
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-2-[9-(4-phenylphenyl)carbazol-3-yl]fluoren-1-amine
CID 167255297
N,N-bis(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-3-yl)-9-phenylcarbazol-3-amine;N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 158241531

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine (CID 167197133) is N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc(-c3ccccc3)c21.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
The InChIKey is KAJQIRNXZWVFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H38N2/c1-51(2)47-22-12-9-19-42(47)46-34-41(33-45(50(46)51)37-17-7-4-8-18-37)52(38-27-25-36(26-28-38)35-15-5-3-6-16-35)39-29-31-40(32-30-39)53-48-23-13-10-20-43(48)44-21-11-14-24-49(44)53/h3-34H,1-2H3.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine?
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine has a molecular weight of 678.88 g/mol, XLogP of 13.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-1-phenyl-N-(4-phenylphenyl)fluoren-3-amine is sourced from PubChem (CID 167197133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).