9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine

C47H35N — CID 177113997

IUPAC9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cc21
InChIInChI=1S/C47H35N/c1-47(2)45-10-6-5-9-43(45)44-26-25-42(30-46(44)47)48-41-23-21-33(22-24-41)32-11-13-34(14-12-32)36-17-18-39-29-40(20-19-38(39)28-36)37-16-15-31-7-3-4-8-35(31)27-37/h3-30,48H,1-2H3
InChIKeyUCNRRRQQDUEMSA-UHFFFAOYSA-N
MW613.80 g/mol
LogP13.04
Rot. Bonds5

About 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine

9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 177113997) has the molecular formula C47H35N and a molecular weight of 613.80 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID177113997
Molecular FormulaC47H35N
Molecular Weight613.80 g/mol
Exact Mass613.28
IUPAC Name9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cc21
InChIInChI=1S/C47H35N/c1-47(2)45-10-6-5-9-43(45)44-26-25-42(30-46(44)47)48-41-23-21-33(22-24-41)32-11-13-34(14-12-32)36-17-18-39-29-40(20-19-38(39)28-36)37-16-15-31-7-3-4-8-35(31)27-37/h3-30,48H,1-2H3
InChIKeyUCNRRRQQDUEMSA-UHFFFAOYSA-N
XLogP13.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.80
LogP ≤ 513.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine (CID 177113997) is 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(-c5ccc6cc(-c7ccc8ccccc8c7)ccc6c5)cc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is UCNRRRQQDUEMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N/c1-47(2)45-10-6-5-9-43(45)44-26-25-42(30-46(44)47)48-41-23-21-33(22-24-41)32-11-13-34(14-12-32)36-17-18-39-29-40(20-19-38(39)28-36)37-16-15-31-7-3-4-8-35(31)27-37/h3-30,48H,1-2H3.
What are the key properties of 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine?
9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 613.80 g/mol, XLogP of 13.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 177113997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).