N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine

C43H34N2 — CID 166714002

IUPACN-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine
SMILESCc1ccccc1-c1ccc(-c2cccc(N(c3ccncc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2ccccc12
InChIInChI=1S/C43H34N2/c1-29-11-4-5-14-34(29)38-22-21-35(36-15-6-7-16-37(36)38)30-12-10-13-32(27-30)45(31-23-25-44-26-24-31)33-19-20-40-39-17-8-9-18-41(39)43(2,3)42(40)28-33/h4-28H,1-3H3
InChIKeyMDVRPRWUMINQFY-UHFFFAOYSA-N
MW578.76 g/mol
LogP11.65
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine

N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine (PubChem CID 166714002) has the molecular formula C43H34N2 and a molecular weight of 578.76 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine
PubChem CID166714002
Molecular FormulaC43H34N2
Molecular Weight578.76 g/mol
Exact Mass578.27
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine
SMILESCc1ccccc1-c1ccc(-c2cccc(N(c3ccncc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2ccccc12
InChIInChI=1S/C43H34N2/c1-29-11-4-5-14-34(29)38-22-21-35(36-15-6-7-16-37(36)38)30-12-10-13-32(27-30)45(31-23-25-44-26-24-31)33-19-20-40-39-17-8-9-18-41(39)43(2,3)42(40)28-33/h4-28H,1-3H3
InChIKeyMDVRPRWUMINQFY-UHFFFAOYSA-N
XLogP11.65
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.76
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(3-naphthalen-1-ylphenyl)fluoren-2-amine
CID 159060283
N-(9,9-dimethylfluoren-2-yl)-6-[3-[3-[(9,9-dimethylfluoren-2-yl)-pyridin-4-ylamino]phenyl]-7,12-diphenylbenzo[k]fluoranthen-9-yl]-N-[3-(7,12-diphenylbenzo[k]fluoranthen-3-yl)phenyl]pyridin-3-amine
CID 134387037
N-[4-[3-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 169230595
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(9-pyridin-4-ylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 168771528
9,9-dimethyl-N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]naphthalen-1-yl]fluoren-2-amine
CID 59221599
N-(9,9-dimethylfluoren-2-yl)-N-(4-fluoranthen-3-ylphenyl)-9,9-dimethylfluoren-2-amine
CID 139498854
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
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(3-phenanthren-1-ylphenyl)fluoren-2-amine
CID 170215462
4-N,4-N-bis(9,9-dimethylfluoren-2-yl)-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 23561786
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
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

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine (CID 166714002) is N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine is Cc1ccccc1-c1ccc(-c2cccc(N(c3ccncc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)c2)c2ccccc12.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine?
The InChIKey is MDVRPRWUMINQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34N2/c1-29-11-4-5-14-34(29)38-22-21-35(36-15-6-7-16-37(36)38)30-12-10-13-32(27-30)45(31-23-25-44-26-24-31)33-19-20-40-39-17-8-9-18-41(39)43(2,3)42(40)28-33/h4-28H,1-3H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine?
N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine has a molecular weight of 578.76 g/mol, XLogP of 11.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-[3-[4-(2-methylphenyl)naphthalen-1-yl]phenyl]pyridin-4-amine is sourced from PubChem (CID 166714002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).