N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine

C80H61FN2O — CID 90129117

IUPACN-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
SMILESCc1ccc(F)c(C/C(=C/c2ccc3c(c2)C2(c4cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)c5ccccc5c4-3)C(C)CCCC2C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C80H61FN2O/c1-50-34-43-70(81)59(44-50)47-58(56-38-36-55(37-39-56)54-20-5-4-6-21-54)45-53-35-41-66-68(46-53)80(51(2)18-15-19-52(80)3)69-49-75(62-25-9-10-27-65(62)78(66)69)82(60-40-42-64-63-26-12-14-33-76(63)84-77(64)48-60)73-31-17-32-74-79(73)67-28-11-13-29-72(67)83(74)71-30-16-23-57-22-7-8-24-61(57)71/h4-14,16-17,20-46,48-49,51-52H,15,18-19,47H2,1-3H3/b58-45-
InChIKeyCZAHNVDDQSQAOY-IBKZZDLESA-N
MW1085.38 g/mol
LogP22.08
Rot. Bonds9

About N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine

N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine (PubChem CID 90129117) has the molecular formula C80H61FN2O and a molecular weight of 1085.38 g/mol. Its IUPAC name is N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine.

Molecular Properties

Compound NameN-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
PubChem CID90129117
Molecular FormulaC80H61FN2O
Molecular Weight1085.38 g/mol
Exact Mass1084.48
IUPAC NameN-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine
SMILESCc1ccc(F)c(C/C(=C/c2ccc3c(c2)C2(c4cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)c5ccccc5c4-3)C(C)CCCC2C)c2ccc(-c3ccccc3)cc2)c1
InChIInChI=1S/C80H61FN2O/c1-50-34-43-70(81)59(44-50)47-58(56-38-36-55(37-39-56)54-20-5-4-6-21-54)45-53-35-41-66-68(46-53)80(51(2)18-15-19-52(80)3)69-49-75(62-25-9-10-27-65(62)78(66)69)82(60-40-42-64-63-26-12-14-33-76(63)84-77(64)48-60)73-31-17-32-74-79(73)67-28-11-13-29-72(67)83(74)71-30-16-23-57-22-7-8-24-61(57)71/h4-14,16-17,20-46,48-49,51-52H,15,18-19,47H2,1-3H3/b58-45-
InChIKeyCZAHNVDDQSQAOY-IBKZZDLESA-N
XLogP22.08
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001085.38
LogP ≤ 522.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The IUPAC name of N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine (CID 90129117) is N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine.
What is the SMILES notation for N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The canonical SMILES for N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine is Cc1ccc(F)c(C/C(=C/c2ccc3c(c2)C2(c4cc(N(c5ccc6c(c5)oc5ccccc56)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)c5ccccc5c4-3)C(C)CCCC2C)c2ccc(-c3ccccc3)cc2)c1.
What is the InChIKey of N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
The InChIKey is CZAHNVDDQSQAOY-IBKZZDLESA-N. The full InChI is InChI=1S/C80H61FN2O/c1-50-34-43-70(81)59(44-50)47-58(56-38-36-55(37-39-56)54-20-5-4-6-21-54)45-53-35-41-66-68(46-53)80(51(2)18-15-19-52(80)3)69-49-75(62-25-9-10-27-65(62)78(66)69)82(60-40-42-64-63-26-12-14-33-76(63)84-77(64)48-60)73-31-17-32-74-79(73)67-28-11-13-29-72(67)83(74)71-30-16-23-57-22-7-8-24-61(57)71/h4-14,16-17,20-46,48-49,51-52H,15,18-19,47H2,1-3H3/b58-45-.
What are the key properties of N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine?
N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine has a molecular weight of 1085.38 g/mol, XLogP of 22.08, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzofuran-3-yl-N-[9-[(Z)-3-(2-fluoro-5-methylphenyl)-2-(4-phenylphenyl)prop-1-enyl]-2',6'-dimethylspiro[benzo[c]fluorene-7,1'-cyclohexane]-5-yl]-9-naphthalen-1-ylcarbazol-4-amine is sourced from PubChem (CID 90129117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).