9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine

C58H46N2 — CID 156573696

IUPAC9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H46N2/c1-3-13-41(14-4-1)48-17-8-11-21-55(48)59(47-28-30-57-52(37-47)50-19-9-12-22-56(50)60(57)45-15-5-2-6-16-45)46-26-23-40(24-27-46)42-25-29-54-51(36-42)49-18-7-10-20-53(49)58(54)43-32-38-31-39(34-43)35-44(58)33-38/h1-30,36-39,43-44H,31-35H2
InChIKeyKEVZKIPHSXPHOZ-UHFFFAOYSA-N
MW771.02 g/mol
LogP15.31
Rot. Bonds6

About 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine

9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine (PubChem CID 156573696) has the molecular formula C58H46N2 and a molecular weight of 771.02 g/mol. Its IUPAC name is 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
PubChem CID156573696
Molecular FormulaC58H46N2
Molecular Weight771.02 g/mol
Exact Mass770.37
IUPAC Name9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C58H46N2/c1-3-13-41(14-4-1)48-17-8-11-21-55(48)59(47-28-30-57-52(37-47)50-19-9-12-22-56(50)60(57)45-15-5-2-6-16-45)46-26-23-40(24-27-46)42-25-29-54-51(36-42)49-18-7-10-20-53(49)58(54)43-32-38-31-39(34-43)35-44(58)33-38/h1-30,36-39,43-44H,31-35H2
InChIKeyKEVZKIPHSXPHOZ-UHFFFAOYSA-N
XLogP15.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.02
LogP ≤ 515.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-(2,4-diphenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-2-amine;N-naphthalen-2-yl-9-phenyl-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 163855626
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-(4-phenylphenyl)-3-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazole
CID 156576999
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
N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
CID 158024672
3'-[10-(2,4-diphenylphenyl)anthracen-9-yl]spiro[adamantane-2,9'-fluorene];9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-3'-ylanthracen-9-yl)carbazole
CID 164972681
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
9-phenyl-N-(2-phenylphenyl)-N-[4-[4-(2-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 167019949
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine?
The IUPAC name of 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine (CID 156573696) is 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine?
The canonical SMILES for 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc4c(c3)-c3ccccc3C43C4CC5CC(C4)CC3C5)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine?
The InChIKey is KEVZKIPHSXPHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H46N2/c1-3-13-41(14-4-1)48-17-8-11-21-55(48)59(47-28-30-57-52(37-47)50-19-9-12-22-56(50)60(57)45-15-5-2-6-16-45)46-26-23-40(24-27-46)42-25-29-54-51(36-42)49-18-7-10-20-53(49)58(54)43-32-38-31-39(34-43)35-44(58)33-38/h1-30,36-39,43-44H,31-35H2.
What are the key properties of 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine?
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine has a molecular weight of 771.02 g/mol, XLogP of 15.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine is sourced from PubChem (CID 156573696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).