4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine

C82H62N4 — CID 166050404

IUPAC4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3)c1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)cc3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4cc(C)c1c2c43
InChIInChI=1S/C82H62N4/c1-49-17-9-15-27-74(49)86(59-31-34-62-61-22-10-13-25-70(61)82(71(62)46-59)55-41-51-40-52(43-55)44-56(82)42-51)77-38-36-67-68(53-29-33-64-63-23-11-14-26-72(63)83-73(64)45-53)48-69-76(37-30-54-39-50(2)79(77)81(67)80(54)69)84(57-18-5-3-6-19-57)60-32-35-66-65-24-12-16-28-75(65)85(78(66)47-60)58-20-7-4-8-21-58/h3-39,45-48,51-52,55-56,83H,40-44H2,1-2H3
InChIKeyYBJHJAAWSVXQSC-UHFFFAOYSA-N
MW1103.43 g/mol
LogP22.26
Rot. Bonds8

About 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine

4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine (PubChem CID 166050404) has the molecular formula C82H62N4 and a molecular weight of 1103.43 g/mol. Its IUPAC name is 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine.

Molecular Properties

Compound Name4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
PubChem CID166050404
Molecular FormulaC82H62N4
Molecular Weight1103.43 g/mol
Exact Mass1102.50
IUPAC Name4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
SMILESCc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3)c1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)cc3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4cc(C)c1c2c43
InChIInChI=1S/C82H62N4/c1-49-17-9-15-27-74(49)86(59-31-34-62-61-22-10-13-25-70(61)82(71(62)46-59)55-41-51-40-52(43-55)44-56(82)42-51)77-38-36-67-68(53-29-33-64-63-23-11-14-26-72(63)83-73(64)45-53)48-69-76(37-30-54-39-50(2)79(77)81(67)80(54)69)84(57-18-5-3-6-19-57)60-32-35-66-65-24-12-16-28-75(65)85(78(66)47-60)58-20-7-4-8-21-58/h3-39,45-48,51-52,55-56,83H,40-44H2,1-2H3
InChIKeyYBJHJAAWSVXQSC-UHFFFAOYSA-N
XLogP22.26
TPSA27.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001103.43
LogP ≤ 522.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine with MolForge

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Related Compounds

1-N-(2-methylphenyl)-6-N,6-N-diphenyl-3-(3-phenylphenyl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
CID 166050315
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,9-diphenyl-N-spiro[adamantane-2,9'-fluorene]-3'-ylcarbazol-2-amine
CID 156568137
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
6-N-(4-fluorophenyl)-1-N,1-N-bis(2-methylphenyl)-6-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
CID 166050309
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-spiro[adamantane-2,9'-fluorene]-3'-ylphenyl)carbazol-3-amine
CID 156573696
N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-(6'-phenylspiro[adamantane-2,9'-fluorene]-3'-yl)carbazol-2-amine
CID 170085971
1-N-(4-fluorophenyl)-6-N-(4-methylphenyl)-6-N-phenyl-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine
CID 166050358
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-naphthalen-1-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenanthren-2-ylspiro[adamantane-2,9'-fluorene]-3'-amine;N-naphthalen-1-yl-N-phenanthren-9-ylspiro[adamantane-2,9'-fluorene]-3'-amine
CID 160894780
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)spiro[adamantane-2,9'-fluorene]-4'-amine
CID 160744068

Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine?
The IUPAC name of 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine (CID 166050404) is 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine.
What is the SMILES notation for 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine?
The canonical SMILES for 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine is Cc1ccccc1N(c1ccc2c(c1)C1(c3ccccc3-2)C2CC3CC(C2)CC1C3)c1ccc2c(-c3ccc4c(c3)[nH]c3ccccc34)cc3c(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc4cc(C)c1c2c43.
What is the InChIKey of 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine?
The InChIKey is YBJHJAAWSVXQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H62N4/c1-49-17-9-15-27-74(49)86(59-31-34-62-61-22-10-13-25-70(61)82(71(62)46-59)55-41-51-40-52(43-55)44-56(82)42-51)77-38-36-67-68(53-29-33-64-63-23-11-14-26-72(63)83-73(64)45-53)48-69-76(37-30-54-39-50(2)79(77)81(67)80(54)69)84(57-18-5-3-6-19-57)60-32-35-66-65-24-12-16-28-75(65)85(78(66)47-60)58-20-7-4-8-21-58/h3-39,45-48,51-52,55-56,83H,40-44H2,1-2H3.
What are the key properties of 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine?
4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine has a molecular weight of 1103.43 g/mol, XLogP of 22.26, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-2-yl)-10-methyl-1-N-(2-methylphenyl)-6-N-phenyl-6-N-(9-phenylcarbazol-2-yl)-1-N-spiro[adamantane-2,9'-fluorene]-2'-ylpyrene-1,6-diamine is sourced from PubChem (CID 166050404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).