9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine

C68H50N2 — CID 170304350

IUPAC9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC8CC5C86C7)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C68H50N2/c1-3-16-45(17-4-1)51-25-13-18-46-19-14-26-55(65(46)51)54-23-8-11-28-59(54)70(62-31-15-30-61-66(62)56-24-9-12-29-60(56)69(61)49-20-5-2-6-21-49)50-35-32-44(33-36-50)47-34-37-53-52-22-7-10-27-57(52)68(58(53)40-47)63-39-43-38-48-41-64(68)67(48,63)42-43/h1-37,40,43,48,63-64H,38-39,41-42H2
InChIKeyCHJNRLTXUHUIOV-UHFFFAOYSA-N
MW895.16 g/mol
LogP17.74
Rot. Bonds7

About 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine

9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine (PubChem CID 170304350) has the molecular formula C68H50N2 and a molecular weight of 895.16 g/mol. Its IUPAC name is 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine.

Molecular Properties

Compound Name9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
PubChem CID170304350
Molecular FormulaC68H50N2
Molecular Weight895.16 g/mol
Exact Mass894.40
IUPAC Name9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC8CC5C86C7)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1
InChIInChI=1S/C68H50N2/c1-3-16-45(17-4-1)51-25-13-18-46-19-14-26-55(65(46)51)54-23-8-11-28-59(54)70(62-31-15-30-61-66(62)56-24-9-12-29-60(56)69(61)49-20-5-2-6-21-49)50-35-32-44(33-36-50)47-34-37-53-52-22-7-10-27-57(52)68(58(53)40-47)63-39-43-38-48-41-64(68)67(48,63)42-43/h1-37,40,43,48,63-64H,38-39,41-42H2
InChIKeyCHJNRLTXUHUIOV-UHFFFAOYSA-N
XLogP17.74
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500895.16
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine with MolForge

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Related Compounds

(7'R)-N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-amine
CID 170304460
2-(8-cyclohexylnaphthalen-1-yl)-N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170304602
9-phenyl-N-[2-phenyl-4-[6'-(2-phenyl-N-[9-[3-[6-[N-(2-phenylphenyl)-4-(4-phenylphenyl)anilino]spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-yl]phenyl]carbazol-3-yl]anilino)spiro[adamantane-2,9'-fluorene]-2'-yl]phenyl]-N-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-3-ylcarbazol-2-amine
CID 156568180
2-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170304323
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[3-(9-phenylcarbazol-2-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170304099
N-(3-carbazol-9-ylphenyl)-N-(4-phenylphenyl)-5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-amine;9-phenyl-N-(4-phenylphenyl)-N-(5-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine;9-phenyl-N-(4-phenylphenyl)-N-(8-spiro[adamantane-2,9'-fluorene]-3'-ylnaphthalen-1-yl)carbazol-4-amine
CID 159156453
N-(2,4-diphenylphenyl)-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 170297284
N-[2-[8-(3,5-ditert-butylphenyl)naphthalen-1-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazol-4-amine
CID 170304052
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)aniline
CID 170303731
2-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylphenyl)aniline
CID 170292333
N-(3-dibenzothiophen-1-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-spiro[fluorene-9,2'-tetracyclo[3.3.1.03,9.07,9]nonane]-2-ylaniline
CID 170302446
N-[2-(10,10-diphenyl-9H-phenanthren-2-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]carbazol-3-amine
CID 170304339

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine?
The IUPAC name of 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine (CID 170304350) is 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine.
What is the SMILES notation for 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine?
The canonical SMILES for 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine is c1ccc(-c2cccc3cccc(-c4ccccc4N(c4ccc(-c5ccc6c(c5)C5(c7ccccc7-6)C6CC7CC8CC5C86C7)cc4)c4cccc5c4c4ccccc4n5-c4ccccc4)c23)cc1.
What is the InChIKey of 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine?
The InChIKey is CHJNRLTXUHUIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H50N2/c1-3-16-45(17-4-1)51-25-13-18-46-19-14-26-55(65(46)51)54-23-8-11-28-59(54)70(62-31-15-30-61-66(62)56-24-9-12-29-60(56)69(61)49-20-5-2-6-21-49)50-35-32-44(33-36-50)47-34-37-53-52-22-7-10-27-57(52)68(58(53)40-47)63-39-43-38-48-41-64(68)67(48,63)42-43/h1-37,40,43,48,63-64H,38-39,41-42H2.
What are the key properties of 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine?
9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine has a molecular weight of 895.16 g/mol, XLogP of 17.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-(4-spiro[fluorene-9,4'-tetracyclo[5.2.1.03,8.05,8]decane]-2-ylphenyl)carbazol-4-amine is sourced from PubChem (CID 170304350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).