N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine

C46H38N2 — CID 156568137

IUPACN,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H38N2/c1-3-11-34(12-4-1)47(37-19-21-40-39-16-8-10-18-44(39)48(45(40)29-37)35-13-5-2-6-14-35)36-20-22-43-41(28-36)38-15-7-9-17-42(38)46(43)32-24-30-23-31(26-32)27-33(46)25-30/h1-22,28-33H,23-27H2
InChIKeyYNZRTFFSJWZVJC-UHFFFAOYSA-N
MW618.82 g/mol
LogP11.98
Rot. Bonds4

About N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine

N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine (PubChem CID 156568137) has the molecular formula C46H38N2 and a molecular weight of 618.82 g/mol. Its IUPAC name is N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine.

Molecular Properties

Compound NameN,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
PubChem CID156568137
Molecular FormulaC46H38N2
Molecular Weight618.82 g/mol
Exact Mass618.30
IUPAC NameN,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
SMILESc1ccc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C46H38N2/c1-3-11-34(12-4-1)47(37-19-21-40-39-16-8-10-18-44(39)48(45(40)29-37)35-13-5-2-6-14-35)36-20-22-43-41(28-36)38-15-7-9-17-42(38)46(43)32-24-30-23-31(26-32)27-33(46)25-30/h1-22,28-33H,23-27H2
InChIKeyYNZRTFFSJWZVJC-UHFFFAOYSA-N
XLogP11.98
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.82
LogP ≤ 511.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
9-phenyl-N-spiro[cyclohexane-1,9'-fluorene]-2'-yl-N-spiro[fluorene-9,2'-tricyclo[4.3.1.13,8]undecane]-3-ylcarbazol-2-amine
CID 168722791
N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156573561
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(4-spiro[adamantane-2,9'-fluorene]-2'-ylphenyl)phenyl]carbazol-2-amine
CID 155399565
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
9-phenyl-N,N-bis(4-phenylphenyl)-6-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine
CID 156568218
N-(4-carbazol-9-ylphenyl)-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine;N-dibenzofuran-3-yl-9-phenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-3-amine;N-dibenzofuran-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine;N-dibenzothiophen-3-yl-N-spiro[adamantane-2,9'-fluorene]-3'-yldibenzofuran-3-amine
CID 163969722
N-(3-carbazol-9-ylphenyl)-N-(4-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)naphthalen-2-amine
CID 156568213
9-phenyl-N-(9-phenylcarbazol-2-yl)-7-[4-[3-[(9-phenylcarbazol-2-yl)-spiro[fluorene-9,2'-tetracyclo[5.3.1.03,9.05,9]undecane]-3-ylamino]carbazol-9-yl]phenyl]-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568063
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
CID 159039073
CID 159039073
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-(9,9'-spirobi[fluorene]-3-yl)carbazol-2-amine
CID 145334998

Frequently Asked Questions

What is the IUPAC name of N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?
The IUPAC name of N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine (CID 156568137) is N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine.
What is the SMILES notation for N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?
The canonical SMILES for N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine is c1ccc(N(c2ccc3c(c2)-c2ccccc2C32C3CC4CC(C3)CC2C4)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?
The InChIKey is YNZRTFFSJWZVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38N2/c1-3-11-34(12-4-1)47(37-19-21-40-39-16-8-10-18-44(39)48(45(40)29-37)35-13-5-2-6-14-35)36-20-22-43-41(28-36)38-15-7-9-17-42(38)46(43)32-24-30-23-31(26-32)27-33(46)25-30/h1-22,28-33H,23-27H2.
What are the key properties of N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine?
N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine has a molecular weight of 618.82 g/mol, XLogP of 11.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine is sourced from PubChem (CID 156568137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).