N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine

C54H45N — CID 155181682

IUPACN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C54H45N/c1-34-15-13-16-35(2)51(34)44-32-39(38-26-25-36-17-7-8-18-37(36)31-38)27-30-49(44)55(40-28-29-42-41-19-9-11-21-45(41)54(5,6)48(42)33-40)50-24-14-23-47-52(50)43-20-10-12-22-46(43)53(47,3)4/h7-33H,1-6H3
InChIKeyWBRSKVKOKDCRQN-UHFFFAOYSA-N
MW707.96 g/mol
LogP14.87
Rot. Bonds5

About N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine

N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine (PubChem CID 155181682) has the molecular formula C54H45N and a molecular weight of 707.96 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
PubChem CID155181682
Molecular FormulaC54H45N
Molecular Weight707.96 g/mol
Exact Mass707.36
IUPAC NameN-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine
SMILESCc1cccc(C)c1-c1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C
InChIInChI=1S/C54H45N/c1-34-15-13-16-35(2)51(34)44-32-39(38-26-25-36-17-7-8-18-37(36)31-38)27-30-49(44)55(40-28-29-42-41-19-9-11-21-45(41)54(5,6)48(42)33-40)50-24-14-23-47-52(50)43-20-10-12-22-46(43)53(47,3)4/h7-33H,1-6H3
InChIKeyWBRSKVKOKDCRQN-UHFFFAOYSA-N
XLogP14.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.96
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 155181614
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-phenylphenyl]-9,9-dimethylfluoren-2-amine
CID 155623488
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-[4-(4-methylphenyl)-2-naphthalen-2-ylphenyl]fluoren-2-amine
CID 155181809
N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-2-yl-4-phenylphenyl)fluoren-2-amine
CID 155181751
N-[4-[4-(N-(9,9-dimethylfluoren-2-yl)-2-naphthalen-2-ylanilino)-3-methylphenyl]-2-methylphenyl]-9,9-dimethyl-N-(2-naphthalen-2-ylphenyl)fluoren-2-amine
CID 121323170
N-[2-(2,6-dimethylphenyl)-4-(4-phenylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155220965
N-[2,6-bis(2-methylphenyl)-4-naphthalen-2-ylphenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-methyl-6-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-ylphenyl)fluoren-2-amine;N-(9,9-dimethylfluoren-4-yl)-9,9-dimethyl-N-(2-naphthalen-1-yl-4-naphthalen-2-yl-6-phenylphenyl)fluoren-2-amine
CID 162226630
N-(2,4-dinaphthalen-2-ylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-4-amine
CID 155181697
N-(2,4-diphenylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 155181875
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)fluoren-4-amine
CID 169020370
9,9-dimethyl-N-[2-(4-naphthalen-2-ylphenyl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169019931
9,9-dimethyl-N,N-bis[3-(4-naphthalen-2-ylphenyl)phenyl]fluoren-4-amine
CID 169020071

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine (CID 155181682) is N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine is Cc1cccc(C)c1-c1cc(-c2ccc3ccccc3c2)ccc1N(c1ccc2c(c1)C(C)(C)c1ccccc1-2)c1cccc2c1-c1ccccc1C2(C)C.
What is the InChIKey of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine?
The InChIKey is WBRSKVKOKDCRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H45N/c1-34-15-13-16-35(2)51(34)44-32-39(38-26-25-36-17-7-8-18-37(36)31-38)27-30-49(44)55(40-28-29-42-41-19-9-11-21-45(41)54(5,6)48(42)33-40)50-24-14-23-47-52(50)43-20-10-12-22-46(43)53(47,3)4/h7-33H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine?
N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine has a molecular weight of 707.96 g/mol, XLogP of 14.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-4-yl)-N-[2-(2,6-dimethylphenyl)-4-naphthalen-2-ylphenyl]-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 155181682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).