9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole

C60H38N2O — CID 163732904

IUPAC9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H38N2O/c1-3-17-47(18-4-1)61-55-23-9-7-21-49(55)51-35-43(25-29-57(51)61)39-13-11-15-41(33-39)45-27-31-59-53(37-45)54-38-46(28-32-60(54)63-59)42-16-12-14-40(34-42)44-26-30-58-52(36-44)50-22-8-10-24-56(50)62(58)48-19-5-2-6-20-48/h1-38H
InChIKeyCZGUXWHTUZSRGM-UHFFFAOYSA-N
MW802.98 g/mol
LogP16.45
Rot. Bonds6

About 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole

9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole (PubChem CID 163732904) has the molecular formula C60H38N2O and a molecular weight of 802.98 g/mol. Its IUPAC name is 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
PubChem CID163732904
Molecular FormulaC60H38N2O
Molecular Weight802.98 g/mol
Exact Mass802.30
IUPAC Name9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7c6c5)c4)ccc32)cc1
InChIInChI=1S/C60H38N2O/c1-3-17-47(18-4-1)61-55-23-9-7-21-49(55)51-35-43(25-29-57(51)61)39-13-11-15-41(33-39)45-27-31-59-53(37-45)54-38-46(28-32-60(54)63-59)42-16-12-14-40(34-42)44-26-30-58-52(36-44)50-22-8-10-24-56(50)62(58)48-19-5-2-6-20-48/h1-38H
InChIKeyCZGUXWHTUZSRGM-UHFFFAOYSA-N
XLogP16.45
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.98
LogP ≤ 516.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole (CID 163732904) is 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6oc7ccc(-c8cccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccccc9)c8)cc7c6c5)c4)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?
The InChIKey is CZGUXWHTUZSRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N2O/c1-3-17-47(18-4-1)61-55-23-9-7-21-49(55)51-35-43(25-29-57(51)61)39-13-11-15-41(33-39)45-27-31-59-53(37-45)54-38-46(28-32-60(54)63-59)42-16-12-14-40(34-42)44-26-30-58-52(36-44)50-22-8-10-24-56(50)62(58)48-19-5-2-6-20-48/h1-38H.
What are the key properties of 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole?
9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole has a molecular weight of 802.98 g/mol, XLogP of 16.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[3-[8-[3-(9-phenylcarbazol-3-yl)phenyl]dibenzofuran-2-yl]phenyl]carbazole is sourced from PubChem (CID 163732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).