N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine

C41H27NO — CID 167177755

IUPACN-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C41H27NO/c1-2-14-30(15-3-1)42(31-23-22-28-12-4-5-13-29(28)26-31)32-24-25-38-40(27-32)43-39-21-11-10-20-37(39)41(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)41/h1-27H
InChIKeyMHDZGBFEIGFDBD-UHFFFAOYSA-N
MW549.67 g/mol
LogP10.78
Rot. Bonds3

About N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine

N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine (PubChem CID 167177755) has the molecular formula C41H27NO and a molecular weight of 549.67 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine.

Molecular Properties

Compound NameN-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
PubChem CID167177755
Molecular FormulaC41H27NO
Molecular Weight549.67 g/mol
Exact Mass549.21
IUPAC NameN-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine
SMILESc1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C41H27NO/c1-2-14-30(15-3-1)42(31-23-22-28-12-4-5-13-29(28)26-31)32-24-25-38-40(27-32)43-39-21-11-10-20-37(39)41(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)41/h1-27H
InChIKeyMHDZGBFEIGFDBD-UHFFFAOYSA-N
XLogP10.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.67
LogP ≤ 510.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-naphthalen-2-ylphenyl)-N-phenylspiro[fluorene-9,9'-xanthene]-3-amine
CID 167177758
N-phenyl-N-(6-phenylnaphthalen-2-yl)spiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164794128
N-naphthalen-2-yl-N-phenylspiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-18-amine
CID 138581655
4-naphthalen-2-yl-N-phenyl-N-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)aniline
CID 167176702
N,N-diphenyl-4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylaniline
CID 172539696
N,4-diphenyl-N-(4-spiro[benzo[b]xanthene-12,9'-fluorene]-3'-ylphenyl)aniline
CID 172539697
N-naphtho[2,3-b][1]benzothiol-3-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-amine
CID 169305220
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[benzo[a]phenalene-7,9'-xanthene]-3'-amine
CID 164793870
N-naphthalen-2-yl-3'-phenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240516
N-phenyl-N-spiro[benzo[b]fluorene-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-amine
CID 130462490
N-phenanthren-2-yl-N-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 90153947
N-naphthalen-2-yl-2',3'-diphenyl-N-(2-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 170240652

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine?
The IUPAC name of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine (CID 167177755) is N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine.
What is the SMILES notation for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine?
The canonical SMILES for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine is c1ccc(N(c2ccc3c(c2)Oc2ccccc2C32c3ccccc3-c3ccccc32)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine?
The InChIKey is MHDZGBFEIGFDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H27NO/c1-2-14-30(15-3-1)42(31-23-22-28-12-4-5-13-29(28)26-31)32-24-25-38-40(27-32)43-39-21-11-10-20-37(39)41(38)35-18-8-6-16-33(35)34-17-7-9-19-36(34)41/h1-27H.
What are the key properties of N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine?
N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine has a molecular weight of 549.67 g/mol, XLogP of 10.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-N-phenylspiro[fluorene-9,9'-xanthene]-3'-amine is sourced from PubChem (CID 167177755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).