N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

C46H37N — CID 159060283

IUPACN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C46H37N/c1-45(2)41-21-9-7-18-37(41)39-25-23-33(28-43(39)45)47(34-24-26-40-38-19-8-10-22-42(38)46(3,4)44(40)29-34)32-16-11-15-31(27-32)36-20-12-14-30-13-5-6-17-35(30)36/h5-29H,1-4H3
InChIKeyCGEKXKSOOPQXCR-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.59
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (PubChem CID 159060283) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
PubChem CID159060283
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21
InChIInChI=1S/C46H37N/c1-45(2)41-21-9-7-18-37(41)39-25-23-33(28-43(39)45)47(34-24-26-40-38-19-8-10-22-42(38)46(3,4)44(40)29-34)32-16-11-15-31(27-32)36-20-12-14-30-13-5-6-17-35(30)36/h5-29H,1-4H3
InChIKeyCGEKXKSOOPQXCR-UHFFFAOYSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.81
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(3-naphthalen-1-ylphenyl)benzo[g]fluoren-9-amine
CID 166974898
9,9-dimethyl-7-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 118500254
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-[3-(6-phenylphenanthren-3-yl)phenyl]fluoren-2-amine
CID 138743065
9,9-dimethyl-7-naphthalen-1-yl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050412
9,9-dimethyl-N-(5-naphthalen-1-yl-2-phenylphenyl)-N-phenylfluoren-2-amine
CID 167234692
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58050517
N-[4-[2,5-diphenyl-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 176611444
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
N-(9,9-dimethylfluoren-2-yl)-9-methyl-N-(3-naphthalen-1-ylphenyl)-5,9-diphenylfluoren-2-amine
CID 167219113
N-[9,9-dimethyl-7-(4-naphthalen-1-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine
CID 118500337
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine (CID 159060283) is N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4cccc5ccccc45)c3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
The InChIKey is CGEKXKSOOPQXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-45(2)41-21-9-7-18-37(41)39-25-23-33(28-43(39)45)47(34-24-26-40-38-19-8-10-22-42(38)46(3,4)44(40)29-34)32-16-11-15-31(27-32)36-20-12-14-30-13-5-6-17-35(30)36/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine?
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine has a molecular weight of 603.81 g/mol, XLogP of 12.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 159060283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).