9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine

C64H52N2 — CID 170119848

IUPAC9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine
SMILESC1=CC(c2ccccc2)C(c2ccccc2-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)C=C1
InChIInChI=1S/C64H52N2/c1-3-18-44(19-4-1)49-22-7-8-23-50(49)51-24-9-10-25-52(51)53-26-12-15-31-59(53)66(48-34-35-61-56(41-48)54-27-13-16-32-60(54)65(61)47-20-5-2-6-21-47)62-33-17-30-58-63(62)55-28-11-14-29-57(55)64(58)45-37-42-36-43(39-45)40-46(64)38-42/h1-35,41-43,45-46,49-50H,36-40H2
InChIKeyNAILPUABOSPVQC-UHFFFAOYSA-N
MW849.13 g/mol
LogP16.64
Rot. Bonds7

About 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine

9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine (PubChem CID 170119848) has the molecular formula C64H52N2 and a molecular weight of 849.13 g/mol. Its IUPAC name is 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine.

Molecular Properties

Compound Name9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine
PubChem CID170119848
Molecular FormulaC64H52N2
Molecular Weight849.13 g/mol
Exact Mass848.41
IUPAC Name9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine
SMILESC1=CC(c2ccccc2)C(c2ccccc2-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)C=C1
InChIInChI=1S/C64H52N2/c1-3-18-44(19-4-1)49-22-7-8-23-50(49)51-24-9-10-25-52(51)53-26-12-15-31-59(53)66(48-34-35-61-56(41-48)54-27-13-16-32-60(54)65(61)47-20-5-2-6-21-47)62-33-17-30-58-63(62)55-28-11-14-29-57(55)64(58)45-37-42-36-43(39-45)40-46(64)38-42/h1-35,41-43,45-46,49-50H,36-40H2
InChIKeyNAILPUABOSPVQC-UHFFFAOYSA-N
XLogP16.64
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500849.13
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160744068
9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-2-amine;9-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine;N-[4-(4-phenylphenyl)phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-yldibenzofuran-2-amine
CID 162170787
9-phenyl-N-(2-phenylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
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
9-phenyl-3-(10-spiro[adamantane-2,9'-fluorene]-4'-ylanthracen-9-yl)carbazole
CID 164819192
9-(3-carbazol-9-ylphenyl)spiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,2'-adamantane]
CID 164819333
N-(9H-fluoren-3-yl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-2'-ylcarbazol-3-amine
CID 155399670
N-(3-carbazol-9-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-2-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-phenanthren-9-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 159036181
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
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
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazole
CID 164810227

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine?
The IUPAC name of 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine (CID 170119848) is 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine.
What is the SMILES notation for 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine?
The canonical SMILES for 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine is C1=CC(c2ccccc2)C(c2ccccc2-c2ccccc2N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2cccc3c2-c2ccccc2C32C3CC4CC(C3)CC2C4)C=C1.
What is the InChIKey of 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine?
The InChIKey is NAILPUABOSPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H52N2/c1-3-18-44(19-4-1)49-22-7-8-23-50(49)51-24-9-10-25-52(51)53-26-12-15-31-59(53)66(48-34-35-61-56(41-48)54-27-13-16-32-60(54)65(61)47-20-5-2-6-21-47)62-33-17-30-58-63(62)55-28-11-14-29-57(55)64(58)45-37-42-36-43(39-45)40-46(64)38-42/h1-35,41-43,45-46,49-50H,36-40H2.
What are the key properties of 9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine?
9-phenyl-N-[2-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine has a molecular weight of 849.13 g/mol, XLogP of 16.64, 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-[2-(6-phenylcyclohexa-2,4-dien-1-yl)phenyl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-4'-ylcarbazol-3-amine is sourced from PubChem (CID 170119848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).