7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

C64H42N2O — CID 126628525

IUPAC7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-29-34-51(35-30-44)65(53-38-40-60-59(42-53)62-54-24-11-10-19-47(54)33-39-61(62)66(60)50-22-8-3-9-23-50)52-36-31-45(32-37-52)48-20-12-21-49(41-48)56-26-14-28-58-57-27-13-25-55(63(57)67-64(56)58)46-17-6-2-7-18-46/h1-42H
InChIKeyFCCBBOZFOFDRMJ-UHFFFAOYSA-N
MW855.05 g/mol
LogP17.97
Rot. Bonds8

About 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine

7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (PubChem CID 126628525) has the molecular formula C64H42N2O and a molecular weight of 855.05 g/mol. Its IUPAC name is 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.

Molecular Properties

Compound Name7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
PubChem CID126628525
Molecular FormulaC64H42N2O
Molecular Weight855.05 g/mol
Exact Mass854.33
IUPAC Name7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1
InChIInChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-29-34-51(35-30-44)65(53-38-40-60-59(42-53)62-54-24-11-10-19-47(54)33-39-61(62)66(60)50-22-8-3-9-23-50)52-36-31-45(32-37-52)48-20-12-21-49(41-48)56-26-14-28-58-57-27-13-25-55(63(57)67-64(56)58)46-17-6-2-7-18-46/h1-42H
InChIKeyFCCBBOZFOFDRMJ-UHFFFAOYSA-N
XLogP17.97
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms67
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.05
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The IUPAC name of 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine (CID 126628525) is 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine.
What is the SMILES notation for 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The canonical SMILES for 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)c4)cc3)c3ccc4c(c3)c3c5ccccc5ccc3n4-c3ccccc3)cc2)cc1.
What is the InChIKey of 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
The InChIKey is FCCBBOZFOFDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N2O/c1-4-15-43(16-5-1)44-29-34-51(35-30-44)65(53-38-40-60-59(42-53)62-54-24-11-10-19-47(54)33-39-61(62)66(60)50-22-8-3-9-23-50)52-36-31-45(32-37-52)48-20-12-21-49(41-48)56-26-14-28-58-57-27-13-25-55(63(57)67-64(56)58)46-17-6-2-7-18-46/h1-42H.
What are the key properties of 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine?
7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine has a molecular weight of 855.05 g/mol, XLogP of 17.97, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-[4-[3-(6-phenyldibenzofuran-4-yl)phenyl]phenyl]-N-(4-phenylphenyl)benzo[c]carbazol-10-amine is sourced from PubChem (CID 126628525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).