N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine

C46H37N — CID 170142242

IUPACN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C46H37N/c1-45(2)40-21-11-8-18-38(40)44-37(19-13-22-41(44)45)36-17-9-12-23-43(36)47(32-25-24-30-14-5-6-15-31(30)28-32)33-26-27-35-34-16-7-10-20-39(34)46(3,4)42(35)29-33/h5-29H,1-4H3
InChIKeyHANIZWVEUMVPLK-UHFFFAOYSA-N
MW603.81 g/mol
LogP12.59
Rot. Bonds4

About N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine

N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (PubChem CID 170142242) has the molecular formula C46H37N and a molecular weight of 603.81 g/mol. Its IUPAC name is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
PubChem CID170142242
Molecular FormulaC46H37N
Molecular Weight603.81 g/mol
Exact Mass603.29
IUPAC NameN-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C46H37N/c1-45(2)40-21-11-8-18-38(40)44-37(19-13-22-41(44)45)36-17-9-12-23-43(36)47(32-25-24-30-14-5-6-15-31(30)28-32)33-26-27-35-34-16-7-10-20-39(34)46(3,4)42(35)29-33/h5-29H,1-4H3
InChIKeyHANIZWVEUMVPLK-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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]naphthalen-2-amine
CID 170135293
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 170135425
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-(2,4-diphenylphenyl)naphthalen-2-amine
CID 170134796
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]phenanthren-2-amine
CID 170142102
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-N-[2-(9-methyl-9-phenylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 170136631
9,9-dimethyl-N-naphthalen-2-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-4-amine
CID 170303411
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-2-yl-N-(4-phenylphenyl)aniline
CID 170134955
10,10,12,12-tetramethyl-N-naphthalen-2-yl-5-phenyl-N-(2-phenylphenyl)indeno[2,1-b]fluoren-8-amine
CID 171402161
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenanthren-2-amine
CID 170216868
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
N-[4-[4-[(9,9-dimethylfluoren-2-yl)-naphthalen-2-ylamino]phenyl]phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58982933

Frequently Asked Questions

What is the IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The IUPAC name of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine (CID 170142242) is N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine.
What is the SMILES notation for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The canonical SMILES for N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
The InChIKey is HANIZWVEUMVPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N/c1-45(2)40-21-11-8-18-38(40)44-37(19-13-22-41(44)45)36-17-9-12-23-43(36)47(32-25-24-30-14-5-6-15-31(30)28-32)33-26-27-35-34-16-7-10-20-39(34)46(3,4)42(35)29-33/h5-29H,1-4H3.
What are the key properties of N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine?
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-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-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine is sourced from PubChem (CID 170142242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).