9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine

C46H35N — CID 144639598

IUPAC9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)c4ccccc4-5)c3)cc21
InChIInChI=1S/C46H35N/c1-46(2)43-23-12-11-21-39(43)40-27-25-36(30-44(40)46)47(34-17-7-4-8-18-34)35-19-13-16-32(28-35)33-24-26-38-37-20-9-10-22-41(37)45(42(38)29-33)31-14-5-3-6-15-31/h3-30,45H,1-2H3
InChIKeyPSVAGICZYPPJHR-UHFFFAOYSA-N
MW601.79 g/mol
LogP12.29
Rot. Bonds5

About 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine (PubChem CID 144639598) has the molecular formula C46H35N and a molecular weight of 601.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
PubChem CID144639598
Molecular FormulaC46H35N
Molecular Weight601.79 g/mol
Exact Mass601.28
IUPAC Name9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)c4ccccc4-5)c3)cc21
InChIInChI=1S/C46H35N/c1-46(2)43-23-12-11-21-39(43)40-27-25-36(30-44(40)46)47(34-17-7-4-8-18-34)35-19-13-16-32(28-35)33-24-26-38-37-20-9-10-22-41(37)45(42(38)29-33)31-14-5-3-6-15-31/h3-30,45H,1-2H3
InChIKeyPSVAGICZYPPJHR-UHFFFAOYSA-N
XLogP12.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.79
LogP ≤ 512.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
N-[3-[6-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]-9,9,10,10-tetramethylanthracen-2-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 59649074
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
5-(9H-fluoren-9-yl)-9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 142604920
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-2-amine
CID 142481404
N-[3-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247503
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 161087354
N,9-diphenyl-N-[3-[2-[3-(N-(9-phenyl-9H-fluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9H-fluoren-2-amine
CID 129061482
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118146254
9,9-dimethyl-7-phenyl-N-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 131994094
4-N-(9,9-dimethylfluoren-2-yl)-1-N,1-N-diphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine
CID 59025126
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine (CID 144639598) is 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc(-c4ccc5c(c4)C(c4ccccc4)c4ccccc4-5)c3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine?
The InChIKey is PSVAGICZYPPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N/c1-46(2)43-23-12-11-21-39(43)40-27-25-36(30-44(40)46)47(34-17-7-4-8-18-34)35-19-13-16-32(28-35)33-24-26-38-37-20-9-10-22-41(37)45(42(38)29-33)31-14-5-3-6-15-31/h3-30,45H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine has a molecular weight of 601.79 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[3-(9-phenyl-9H-fluoren-2-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 144639598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).