N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine

C39H27N — CID 167036333

IUPACN-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3cc(Nc4cccc5ccccc45)ccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C39H27N/c1-3-16-30(17-4-1)39(31-18-5-2-6-19-31)36-25-29-14-8-7-13-28(29)24-35(36)34-23-22-32(26-37(34)39)40-38-21-11-15-27-12-9-10-20-33(27)38/h1-26,40H
InChIKeyHNLKGNFHOIHEIL-UHFFFAOYSA-N
MW509.65 g/mol
LogP10.10
Rot. Bonds4

About N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine

N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine (PubChem CID 167036333) has the molecular formula C39H27N and a molecular weight of 509.65 g/mol. Its IUPAC name is N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
PubChem CID167036333
Molecular FormulaC39H27N
Molecular Weight509.65 g/mol
Exact Mass509.21
IUPAC NameN-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine
SMILESc1ccc(C2(c3ccccc3)c3cc(Nc4cccc5ccccc45)ccc3-c3cc4ccccc4cc32)cc1
InChIInChI=1S/C39H27N/c1-3-16-30(17-4-1)39(31-18-5-2-6-19-31)36-25-29-14-8-7-13-28(29)24-35(36)34-23-22-32(26-37(34)39)40-38-21-11-15-27-12-9-10-20-33(27)38/h1-26,40H
InChIKeyHNLKGNFHOIHEIL-UHFFFAOYSA-N
XLogP10.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 510.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-naphthalen-1-yl-9,9-diphenylfluoren-3-amine
CID 170993392
N-(4-tert-butylphenyl)naphthalen-1-amine;9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine
CID 157367101
N-naphthalen-1-yl-9,9-diphenyl-7,8-dihydrofluoren-2-amine
CID 137427270
N-[3-(7-phenylfluoreno[2,3-b][1]benzofuran-7-yl)phenyl]naphthalen-1-amine
CID 166924260
N-(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-2-amine
CID 121423904
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
2-(naphthalen-1-ylmethyl)-9,9-diphenylfluorene;1-(naphthalen-2-ylmethyl)naphthalene;2-[(4-phenylphenyl)methyl]-9,9'-spirobi[fluorene];N-(4-phenylphenyl)naphthalen-1-amine;N,9,9-triphenylfluoren-2-amine
CID 158247118
4-fluoro-N-phenylaniline;N-naphthalen-1-yl-9,9'-spirobi[fluorene]-2-amine;N-phenylaniline;N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 158216881
N-[3-(9-phenylfluoren-9-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519337
N-[4-[4-(naphthalen-1-ylamino)-2-phenylphenyl]-3-phenylphenyl]naphthalen-1-amine
CID 22134300
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 160560775

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine?
The IUPAC name of N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine (CID 167036333) is N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine.
What is the SMILES notation for N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine?
The canonical SMILES for N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine is c1ccc(C2(c3ccccc3)c3cc(Nc4cccc5ccccc45)ccc3-c3cc4ccccc4cc32)cc1.
What is the InChIKey of N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine?
The InChIKey is HNLKGNFHOIHEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N/c1-3-16-30(17-4-1)39(31-18-5-2-6-19-31)36-25-29-14-8-7-13-28(29)24-35(36)34-23-22-32(26-37(34)39)40-38-21-11-15-27-12-9-10-20-33(27)38/h1-26,40H.
What are the key properties of N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine?
N-naphthalen-1-yl-11,11-diphenylbenzo[b]fluoren-2-amine has a molecular weight of 509.65 g/mol, XLogP of 10.10, 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-11,11-diphenylbenzo[b]fluoren-2-amine is sourced from PubChem (CID 167036333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).