N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine

C48H33N — CID 166906524

IUPACN,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Cc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C48H33N/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)47-30-28-38(39-21-9-10-23-41(39)47)33-27-29-46-42(32-33)40-22-11-14-26-45(40)48(46)43-24-12-7-15-34(43)31-35-16-8-13-25-44(35)48/h1-30,32H,31H2
InChIKeyUCVXBOOXHBTKON-UHFFFAOYSA-N
MW623.80 g/mol
LogP12.24
Rot. Bonds4

About N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine

N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine (PubChem CID 166906524) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine
PubChem CID166906524
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC NameN,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Cc4ccccc43)c3ccccc23)cc1
InChIInChI=1S/C48H33N/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)47-30-28-38(39-21-9-10-23-41(39)47)33-27-29-46-42(32-33)40-22-11-14-26-45(40)48(46)43-24-12-7-15-34(43)31-35-16-8-13-25-44(35)48/h1-30,32H,31H2
InChIKeyUCVXBOOXHBTKON-UHFFFAOYSA-N
XLogP12.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-3-yl)naphthalen-1-yl]fluoren-2-amine
CID 168750034
N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylspiro[pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9,11,13,15,17,19,22,24-dodecaene-8,2'-tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene]-6'-amine
CID 153308803
N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
CID 141476561
3-N',5-N,5-N-triphenyl-3-N'-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775104
N-(4-phenylnaphthalen-1-yl)-N-spiro[fluorene-9,9'-xanthene]-3-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138476565
3-N',3-N',5-N-triphenyl-5-N-(4-phenylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-3',5-diamine
CID 168775134
N-phenyl-N-[3-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,10'-9H-anthracene]-19-amine
CID 138582612
N,N-diphenyl-4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylaniline
CID 130262865
4-phenyl-N,N-bis(4-phenylphenyl)-3-(9,9'-spirobi[fluorene]-3-yl)aniline
CID 137469859
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylnaphthalen-1-yl)-9,9'-spirobi[fluorene]-2-amine
CID 155114386
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
21-phenylspiro[20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene-10,10'-9H-anthracene]
CID 164989189

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine?
The IUPAC name of N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine (CID 166906524) is N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine.
What is the SMILES notation for N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine?
The canonical SMILES for N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine is c1ccc(N(c2ccccc2)c2ccc(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4Cc4ccccc43)c3ccccc23)cc1.
What is the InChIKey of N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine?
The InChIKey is UCVXBOOXHBTKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-3-17-36(18-4-1)49(37-19-5-2-6-20-37)47-30-28-38(39-21-9-10-23-41(39)47)33-27-29-46-42(32-33)40-22-11-14-26-45(40)48(46)43-24-12-7-15-34(43)31-35-16-8-13-25-44(35)48/h1-30,32H,31H2.
What are the key properties of N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine?
N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine has a molecular weight of 623.80 g/mol, XLogP of 12.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-spiro[9H-anthracene-10,9'-fluorene]-3'-ylnaphthalen-1-amine is sourced from PubChem (CID 166906524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).