N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine

C51H34N2 — CID 171727614

IUPACN-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
SMILESC(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21)c1ccccc1
InChIInChI=1S/C51H34N2/c1-4-17-37(18-5-1)35-36-51(38-19-6-2-7-20-38)45-26-13-10-25-44(45)50-46(51)27-16-30-49(50)52(39-21-8-3-9-22-39)40-31-33-41(34-32-40)53-47-28-14-11-23-42(47)43-24-12-15-29-48(43)53/h1-34H
InChIKeyQOROTVOYDNPOJB-UHFFFAOYSA-N
MW674.85 g/mol
LogP12.62
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine

N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine (PubChem CID 171727614) has the molecular formula C51H34N2 and a molecular weight of 674.85 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
PubChem CID171727614
Molecular FormulaC51H34N2
Molecular Weight674.85 g/mol
Exact Mass674.27
IUPAC NameN-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine
SMILESC(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21)c1ccccc1
InChIInChI=1S/C51H34N2/c1-4-17-37(18-5-1)35-36-51(38-19-6-2-7-20-38)45-26-13-10-25-44(45)50-46(51)27-16-30-49(50)52(39-21-8-3-9-22-39)40-31-33-41(34-32-40)53-47-28-14-11-23-42(47)43-24-12-15-29-48(43)53/h1-34H
InChIKeyQOROTVOYDNPOJB-UHFFFAOYSA-N
XLogP12.62
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.85
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)-9,9'-spirobi[fluorene]-2-amine
CID 121423436
N-(3-carbazol-9-ylphenyl)-9,9-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]fluoren-4-amine
CID 121381724
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424630
9-(2-naphthalen-1-ylethynyl)-N-(4-naphthalen-1-ylphenyl)-N,9-diphenylfluoren-4-amine
CID 167218092
9-naphthalen-2-yl-N-phenyl-9-(2-phenylethynyl)-N-(4-phenylphenyl)fluoren-4-amine
CID 167218091
N-(4-carbazol-9-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424255
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
4-[9-(2-phenylethynyl)fluoren-9-yl]-N,N-bis[4-[9-(2-phenylethynyl)fluoren-9-yl]phenyl]aniline
CID 146504426
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
7-carbazol-9-yl-N-(9,9-dimethylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193232
7-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-(9,9-diphenylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 135193235

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine (CID 171727614) is N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine is C(#CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccccc3)c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21)c1ccccc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
The InChIKey is QOROTVOYDNPOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2/c1-4-17-37(18-5-1)35-36-51(38-19-6-2-7-20-38)45-26-13-10-25-44(45)50-46(51)27-16-30-49(50)52(39-21-8-3-9-22-39)40-31-33-41(34-32-40)53-47-28-14-11-23-42(47)43-24-12-15-29-48(43)53/h1-34H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine?
N-(4-carbazol-9-ylphenyl)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine has a molecular weight of 674.85 g/mol, XLogP of 12.62, 5 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)-N,9-diphenyl-9-(2-phenylethynyl)fluoren-4-amine is sourced from PubChem (CID 171727614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).