3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

C50H36N2 — CID 129293023

IUPAC3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCC1(c2cccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H36N2/c1-50(46-24-11-8-21-42(46)43-22-9-12-25-47(43)50)37-15-14-20-41(34-37)51(38-16-4-2-5-17-38)40-30-27-35(28-31-40)36-29-32-49-45(33-36)44-23-10-13-26-48(44)52(49)39-18-6-3-7-19-39/h2-34H,1H3
InChIKeyPAWAOPROZPHDOE-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.26
Rot. Bonds6

About 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline

3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (PubChem CID 129293023) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.

Molecular Properties

Compound Name3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
PubChem CID129293023
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
SMILESCC1(c2cccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H36N2/c1-50(46-24-11-8-21-42(46)43-22-9-12-25-47(43)50)37-15-14-20-41(34-37)51(38-16-4-2-5-17-38)40-30-27-35(28-31-40)36-29-32-49-45(33-36)44-23-10-13-26-48(44)52(49)39-18-6-3-7-19-39/h2-34H,1H3
InChIKeyPAWAOPROZPHDOE-UHFFFAOYSA-N
XLogP13.26
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)phenyl]-9-methyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 137392091
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-(9-methylfluoren-9-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine
CID 129293021
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
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
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;9,9-diphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160652754

Frequently Asked Questions

What is the IUPAC name of 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The IUPAC name of 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline (CID 129293023) is 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline.
What is the SMILES notation for 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The canonical SMILES for 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is CC1(c2cccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc3)c2)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
The InChIKey is PAWAOPROZPHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-50(46-24-11-8-21-42(46)43-22-9-12-25-47(43)50)37-15-14-20-41(34-37)51(38-16-4-2-5-17-38)40-30-27-35(28-31-40)36-29-32-49-45(33-36)44-23-10-13-26-48(44)52(49)39-18-6-3-7-19-39/h2-34H,1H3.
What are the key properties of 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline?
3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline has a molecular weight of 664.85 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-methylfluoren-9-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline is sourced from PubChem (CID 129293023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).