N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine

C65H52N2 — CID 158024672

IUPACN-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4C3(c3ccccc3)c3ccccc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C65H52N2/c1-4-18-46(19-5-1)54-24-10-15-29-61(54)66(51-32-34-52(35-33-51)67-62-30-16-11-25-55(62)56-26-12-17-31-63(56)67)53-36-37-59-60(43-53)65(49-39-44-38-45(41-49)42-50(65)40-44)58-28-14-13-27-57(58)64(59,47-20-6-2-7-21-47)48-22-8-3-9-23-48/h1-37,43-45,49-50H,38-42H2
InChIKeyZXGNDNKPUYIJDC-UHFFFAOYSA-N
MW861.15 g/mol
LogP16.36
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine

N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine (PubChem CID 158024672) has the molecular formula C65H52N2 and a molecular weight of 861.15 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
PubChem CID158024672
Molecular FormulaC65H52N2
Molecular Weight861.15 g/mol
Exact Mass860.41
IUPAC NameN-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4C3(c3ccccc3)c3ccccc3)C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C65H52N2/c1-4-18-46(19-5-1)54-24-10-15-29-61(54)66(51-32-34-52(35-33-51)67-62-30-16-11-25-55(62)56-26-12-17-31-63(56)67)53-36-37-59-60(43-53)65(49-39-44-38-45(41-49)42-50(65)40-44)58-28-14-13-27-57(58)64(59,47-20-6-2-7-21-47)48-22-8-3-9-23-48/h1-37,43-45,49-50H,38-42H2
InChIKeyZXGNDNKPUYIJDC-UHFFFAOYSA-N
XLogP16.36
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.15
LogP ≤ 516.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159039073
CID 159039073
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
CID 161255941
CID 161255941
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 121381212
N-(4-carbazol-9-ylphenyl)-N,9',9'-triphenylspiro[adamantane-2,10'-anthracene]-2'-amine;N-(4-dibenzofuran-3-ylphenyl)-10',10'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzofuran-1-ylphenyl)phenyl]-10',10'-diphenyl-N-(4-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine;N-[4-(2-dibenzothiophen-1-ylphenyl)phenyl]-N-naphthalen-1-yl-10',10'-diphenylspiro[adamantane-2,9'-anthracene]-2'-amine
CID 158683884
N,9,9-triphenyl-N-[2-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 118640942
N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine;ethane
CID 145464353
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160744068
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-naphthalen-2-ylspiro[adamantane-2,9'-fluorene]-4'-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(3-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine;N-(4-carbazol-9-ylphenyl)-N-(2-phenylphenyl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160999297
2-(9-phenylcarbazol-3-yl)-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 177116819
9,9-diphenyl-N-[2-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-3-amine
CID 138667407

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine (CID 158024672) is N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c(c2)C2(c4ccccc4C3(c3ccccc3)c3ccccc3)C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine?
The InChIKey is ZXGNDNKPUYIJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H52N2/c1-4-18-46(19-5-1)54-24-10-15-29-61(54)66(51-32-34-52(35-33-51)67-62-30-16-11-25-55(62)56-26-12-17-31-63(56)67)53-36-37-59-60(43-53)65(49-39-44-38-45(41-49)42-50(65)40-44)58-28-14-13-27-57(58)64(59,47-20-6-2-7-21-47)48-22-8-3-9-23-48/h1-37,43-45,49-50H,38-42H2.
What are the key properties of N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine?
N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine has a molecular weight of 861.15 g/mol, XLogP of 16.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-10',10'-diphenyl-N-(2-phenylphenyl)spiro[adamantane-2,9'-anthracene]-2'-amine is sourced from PubChem (CID 158024672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).