9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine

C42H31N3 — CID 118188528

IUPAC9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4cccnc4)cc3)cccc21
InChIInChI=1S/C42H31N3/c1-42(34-12-3-2-4-13-34)38-15-6-5-14-37(38)41-39(42)16-7-17-40(41)45(35-22-18-30(19-23-35)32-10-8-26-43-28-32)36-24-20-31(21-25-36)33-11-9-27-44-29-33/h2-29H,1H3
InChIKeyLGMYUYDWDPHUPL-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.62
Rot. Bonds6

About 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine

9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine (PubChem CID 118188528) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine.

Molecular Properties

Compound Name9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine
PubChem CID118188528
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4cccnc4)cc3)cccc21
InChIInChI=1S/C42H31N3/c1-42(34-12-3-2-4-13-34)38-15-6-5-14-37(38)41-39(42)16-7-17-40(41)45(35-22-18-30(19-23-35)32-10-8-26-43-28-32)36-24-20-31(21-25-36)33-11-9-27-44-29-33/h2-29H,1H3
InChIKeyLGMYUYDWDPHUPL-UHFFFAOYSA-N
XLogP10.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-diphenylphenyl)-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-4-amine
CID 118188510
9-methyl-N-(9-methyl-9-phenylfluoren-4-yl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171453043
9-methyl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-[4-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169019936
N-(9-methyl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167177069
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169065112
9-methyl-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-(3-phenylphenyl)phenyl]fluoren-4-amine
CID 169020008
N-[3-(3,5-diphenylphenyl)phenyl]-N-(4-fluoranthen-3-ylphenyl)-9-methyl-9-phenylfluoren-4-amine
CID 139499016
N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)aniline
CID 169020125
9-methyl-N-naphthalen-2-yl-9-phenyl-N-[2-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169020120
2-(9-methyl-9-phenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 169019481
N-[2-(9,10-diphenylphenanthren-2-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 169064692
9-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenylfluoren-4-amine
CID 169019683

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine?
The IUPAC name of 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine (CID 118188528) is 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine.
What is the SMILES notation for 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine?
The canonical SMILES for 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine is CC1(c2ccccc2)c2ccccc2-c2c(N(c3ccc(-c4cccnc4)cc3)c3ccc(-c4cccnc4)cc3)cccc21.
What is the InChIKey of 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine?
The InChIKey is LGMYUYDWDPHUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-42(34-12-3-2-4-13-34)38-15-6-5-14-37(38)41-39(42)16-7-17-40(41)45(35-22-18-30(19-23-35)32-10-8-26-43-28-32)36-24-20-31(21-25-36)33-11-9-27-44-29-33/h2-29H,1H3.
What are the key properties of 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine?
9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine has a molecular weight of 577.73 g/mol, XLogP of 10.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-N,N-bis(4-pyridin-3-ylphenyl)fluoren-4-amine is sourced from PubChem (CID 118188528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).