7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

C61H42N2O — CID 58510584

IUPAC7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)55-37-47(30-32-49(55)50-33-31-48(38-56(50)61)63-57-16-8-5-13-51(57)52-14-6-9-17-58(52)63)62(45-26-21-40(22-27-45)43-20-19-39-11-3-4-12-42(39)35-43)46-28-23-41(24-29-46)44-25-34-60-54(36-44)53-15-7-10-18-59(53)64-60/h3-38H,1-2H3
InChIKeyGPSXMCUCPSQVEM-UHFFFAOYSA-N
MW819.02 g/mol
LogP16.95
Rot. Bonds6

About 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine

7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (PubChem CID 58510584) has the molecular formula C61H42N2O and a molecular weight of 819.02 g/mol. Its IUPAC name is 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
PubChem CID58510584
Molecular FormulaC61H42N2O
Molecular Weight819.02 g/mol
Exact Mass818.33
IUPAC Name7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21
InChIInChI=1S/C61H42N2O/c1-61(2)55-37-47(30-32-49(55)50-33-31-48(38-56(50)61)63-57-16-8-5-13-51(57)52-14-6-9-17-58(52)63)62(45-26-21-40(22-27-45)43-20-19-39-11-3-4-12-42(39)35-43)46-28-23-41(24-29-46)44-25-34-60-54(36-44)53-15-7-10-18-59(53)64-60/h3-38H,1-2H3
InChIKeyGPSXMCUCPSQVEM-UHFFFAOYSA-N
XLogP16.95
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms64
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.02
LogP ≤ 516.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?
The IUPAC name of 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine (CID 58510584) is 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?
The canonical SMILES for 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is CC1(C)c2cc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)ccc2-c2ccc(-n3c4ccccc4c4ccccc43)cc21.
What is the InChIKey of 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?
The InChIKey is GPSXMCUCPSQVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H42N2O/c1-61(2)55-37-47(30-32-49(55)50-33-31-48(38-56(50)61)63-57-16-8-5-13-51(57)52-14-6-9-17-58(52)63)62(45-26-21-40(22-27-45)43-20-19-39-11-3-4-12-42(39)35-43)46-28-23-41(24-29-46)44-25-34-60-54(36-44)53-15-7-10-18-59(53)64-60/h3-38H,1-2H3.
What are the key properties of 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine?
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine has a molecular weight of 819.02 g/mol, XLogP of 16.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 58510584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).