7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

C54H32N2O2 — CID 134223336

IUPAC7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)cc4)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C54H32N2O2/c1-3-11-37(12-4-1)55-47-25-23-35(27-41(47)43-29-45-39-15-7-9-17-51(39)57-53(45)31-49(43)55)33-19-21-34(22-20-33)36-24-26-48-42(28-36)44-30-46-40-16-8-10-18-52(40)58-54(46)32-50(44)56(48)38-13-5-2-6-14-38/h1-32H
InChIKeyMFCNZVXSOBTAGQ-UHFFFAOYSA-N
MW740.86 g/mol
LogP15.01
Rot. Bonds4

About 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole

7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (PubChem CID 134223336) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
PubChem CID134223336
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
SMILESc1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)cc4)cc3c3cc4c(cc32)oc2ccccc24)cc1
InChIInChI=1S/C54H32N2O2/c1-3-11-37(12-4-1)55-47-25-23-35(27-41(47)43-29-45-39-15-7-9-17-51(39)57-53(45)31-49(43)55)33-19-21-34(22-20-33)36-24-26-48-42(28-36)44-30-46-40-16-8-10-18-52(40)58-54(46)32-50(44)56(48)38-13-5-2-6-14-38/h1-32H
InChIKeyMFCNZVXSOBTAGQ-UHFFFAOYSA-N
XLogP15.01
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 515.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole (CID 134223336) is 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is c1ccc(-n2c3ccc(-c4ccc(-c5ccc6c(c5)c5cc7c(cc5n6-c5ccccc5)oc5ccccc57)cc4)cc3c3cc4c(cc32)oc2ccccc24)cc1.
What is the InChIKey of 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
The InChIKey is MFCNZVXSOBTAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-11-37(12-4-1)55-47-25-23-35(27-41(47)43-29-45-39-15-7-9-17-51(39)57-53(45)31-49(43)55)33-19-21-34(22-20-33)36-24-26-48-42(28-36)44-30-46-40-16-8-10-18-52(40)58-54(46)32-50(44)56(48)38-13-5-2-6-14-38/h1-32H.
What are the key properties of 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole?
7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole has a molecular weight of 740.86 g/mol, XLogP of 15.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-10-[4-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)phenyl]-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 134223336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).