N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine

C35H27N — CID 137427270

IUPACN-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccccc1)c1cc(Nc3cccc4ccccc34)ccc12
InChIInChI=1S/C35H27N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-23-22-28(24-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-9,11-19,21-24,36H,10,20H2
InChIKeyAVPAKMQHTKGEGC-UHFFFAOYSA-N
MW461.61 g/mol
LogP9.03
Rot. Bonds4

About N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine

N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine (PubChem CID 137427270) has the molecular formula C35H27N and a molecular weight of 461.61 g/mol. Its IUPAC name is N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
PubChem CID137427270
Molecular FormulaC35H27N
Molecular Weight461.61 g/mol
Exact Mass461.21
IUPAC NameN-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
SMILESC1=CC2=C(CC1)C(c1ccccc1)(c1ccccc1)c1cc(Nc3cccc4ccccc34)ccc12
InChIInChI=1S/C35H27N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-23-22-28(24-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-9,11-19,21-24,36H,10,20H2
InChIKeyAVPAKMQHTKGEGC-UHFFFAOYSA-N
XLogP9.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms36
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine?
The IUPAC name of N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine (CID 137427270) is N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine?
The canonical SMILES for N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine is C1=CC2=C(CC1)C(c1ccccc1)(c1ccccc1)c1cc(Nc3cccc4ccccc34)ccc12.
What is the InChIKey of N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine?
The InChIKey is AVPAKMQHTKGEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H27N/c1-3-14-26(15-4-1)35(27-16-5-2-6-17-27)32-20-10-9-19-30(32)31-23-22-28(24-33(31)35)36-34-21-11-13-25-12-7-8-18-29(25)34/h1-9,11-19,21-24,36H,10,20H2.
What are the key properties of N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine?
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine has a molecular weight of 461.61 g/mol, XLogP of 9.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine is sourced from PubChem (CID 137427270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).