11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole

C54H34N2O — CID 167193420

IUPAC11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-35(13-3-1)39-30-40(32-42(31-39)56-49-18-8-4-14-43(49)44-15-5-9-19-50(44)56)38-24-22-36(23-25-38)37-26-28-41(29-27-37)55-51-20-10-6-16-45(51)47-34-54-48(33-52(47)55)46-17-7-11-21-53(46)57-54/h1-34H
InChIKeyVDKYRQQZGRHAOS-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 167193420) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID167193420
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1
InChIInChI=1S/C54H34N2O/c1-2-12-35(13-3-1)39-30-40(32-42(31-39)56-49-18-8-4-14-43(49)44-15-5-9-19-50(44)56)38-24-22-36(23-25-38)37-26-28-41(29-27-37)55-51-20-10-6-16-45(51)47-34-54-48(33-52(47)55)46-17-7-11-21-53(46)57-54/h1-34H
InChIKeyVDKYRQQZGRHAOS-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

30-(3,5-diphenylphenyl)-14-oxa-30-azaheptacyclo[19.11.0.02,7.08,13.015,20.023,31.024,29]dotriaconta-1(21),2,4,6,8,10,12,15,17,19,22,24,26,28,31-pentadecaene
CID 118614794
11-dibenzofuran-2-yl-5-[4-(3-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 171414707
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539
11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3,5-diphenylphenyl)carbazole
CID 71100014
7-[4-(4-carbazol-9-ylphenyl)phenyl]-10-phenyl-[1]benzofuro[2,3-b]carbazole
CID 167192760
7-[4-(8-phenyldibenzofuran-2-yl)phenyl]-[1]benzofuro[2,3-b]carbazole
CID 171612092
22-(3,5-diphenylphenyl)-12-oxa-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene
CID 122465786
11-(3,5-diphenylphenyl)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-[1]benzofuro[3,2-b]carbazole
CID 163758695
3-carbazol-9-yl-9-[3-phenyl-5-(8-phenyldibenzofuran-2-yl)phenyl]carbazole;3-[3-(3-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6,9-diphenylcarbazole;3-dibenzofuran-2-yl-9-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 159930551
5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole
CID 122594976
5-dibenzofuran-3-yl-7-(3-phenylphenyl)indolo[2,3-b]carbazole;5-dibenzofuran-3-yl-7-(4-phenylphenyl)indolo[2,3-b]carbazole;11-dibenzofuran-3-yl-5-(3-phenylphenyl)indolo[3,2-b]carbazole
CID 163829612

Frequently Asked Questions

What is the IUPAC name of 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole (CID 167193420) is 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2cc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc7oc8ccccc8c7cc65)cc4)cc3)cc(-n3c4ccccc4c4ccccc43)c2)cc1.
What is the InChIKey of 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is VDKYRQQZGRHAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-2-12-35(13-3-1)39-30-40(32-42(31-39)56-49-18-8-4-14-43(49)44-15-5-9-19-50(44)56)38-24-22-36(23-25-38)37-26-28-41(29-27-37)55-51-20-10-6-16-45(51)47-34-54-48(33-52(47)55)46-17-7-11-21-53(46)57-54/h1-34H.
What are the key properties of 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 167193420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).