7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine

C64H40N4O2 — CID 70897524

IUPAC7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
SMILESC1=C(c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)oc7ccncc78)ccc5n6-c5ccccc5)c4)ccc2n3-c2ccccc2)CC2Oc3ccncc3C2=C1
InChIInChI=1S/C64H40N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-35,37-38,64H,36H2
InChIKeyYDTLMBNORGVWDA-UHFFFAOYSA-N
MW897.05 g/mol
LogP16.20
Rot. Bonds6

About 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine

7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine (PubChem CID 70897524) has the molecular formula C64H40N4O2 and a molecular weight of 897.05 g/mol. Its IUPAC name is 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine.

Molecular Properties

Compound Name7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
PubChem CID70897524
Molecular FormulaC64H40N4O2
Molecular Weight897.05 g/mol
Exact Mass896.32
IUPAC Name7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine
SMILESC1=C(c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)oc7ccncc78)ccc5n6-c5ccccc5)c4)ccc2n3-c2ccccc2)CC2Oc3ccncc3C2=C1
InChIInChI=1S/C64H40N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-35,37-38,64H,36H2
InChIKeyYDTLMBNORGVWDA-UHFFFAOYSA-N
XLogP16.20
TPSA58.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.05
LogP ≤ 516.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine with MolForge

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Related Compounds

7-phenyl-10-[9-phenyl-6-(7-phenyl-5a,6-dihydro-[1]benzofuro[2,3-b]carbazol-10-yl)carbazol-3-yl]-[1]benzofuro[2,3-b]carbazole
CID 145140853
3,9-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 166009426
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 118438947
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
3-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-9-phenylcarbazole
CID 154949991
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
3-[3-[3-dibenzofuran-3-yl-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N,N-diphenylaniline
CID 121443664
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399

Frequently Asked Questions

What is the IUPAC name of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine?
The IUPAC name of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine (CID 70897524) is 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine.
What is the SMILES notation for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine?
The canonical SMILES for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine is C1=C(c2ccc3c(c2)c2cc(-c4cccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)oc7ccncc78)ccc5n6-c5ccccc5)c4)ccc2n3-c2ccccc2)CC2Oc3ccncc3C2=C1.
What is the InChIKey of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine?
The InChIKey is YDTLMBNORGVWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H40N4O2/c1-3-10-47(11-4-1)67-57-22-16-41(31-51(57)53-33-43(18-24-59(53)67)45-14-20-49-55-37-65-28-26-61(55)69-63(49)35-45)39-8-7-9-40(30-39)42-17-23-58-52(32-42)54-34-44(19-25-60(54)68(58)48-12-5-2-6-13-48)46-15-21-50-56-38-66-29-27-62(56)70-64(50)36-46/h1-35,37-38,64H,36H2.
What are the key properties of 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine?
7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine has a molecular weight of 897.05 g/mol, XLogP of 16.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[3-[6-(5a,6-dihydro-[1]benzofuro[3,2-c]pyridin-7-yl)-9-phenylcarbazol-3-yl]phenyl]-9-phenylcarbazol-3-yl]-[1]benzofuro[3,2-c]pyridine is sourced from PubChem (CID 70897524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).