9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole

C61H40N2O2 — CID 137474196

IUPAC9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole
SMILESC=C(/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1
InChIInChI=1S/C61H40N2O2/c1-3-54-49(46-15-7-10-18-55(46)62(54)44-13-5-4-6-14-44)33-38(2)40-24-30-60-52(34-40)53-37-43(26-32-61(53)65-60)42-23-29-57-50(35-42)47-16-8-11-19-56(47)63(57)45-27-21-39(22-28-45)41-25-31-59-51(36-41)48-17-9-12-20-58(48)64-59/h3-37H,2H2,1H3/b49-33-,54-3+
InChIKeyUGGGCVIDLQPCQO-QKYKPSJUSA-N
MW833.00 g/mol
LogP15.15
Rot. Bonds6

About 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole

9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole (PubChem CID 137474196) has the molecular formula C61H40N2O2 and a molecular weight of 833.00 g/mol. Its IUPAC name is 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole
PubChem CID137474196
Molecular FormulaC61H40N2O2
Molecular Weight833.00 g/mol
Exact Mass832.31
IUPAC Name9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole
SMILESC=C(/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1
InChIInChI=1S/C61H40N2O2/c1-3-54-49(46-15-7-10-18-55(46)62(54)44-13-5-4-6-14-44)33-38(2)40-24-30-60-52(34-40)53-37-43(26-32-61(53)65-60)42-23-29-57-50(35-42)47-16-8-11-19-56(47)63(57)45-27-21-39(22-28-45)41-25-31-59-51(36-41)48-17-9-12-20-58(48)64-59/h3-37H,2H2,1H3/b49-33-,54-3+
InChIKeyUGGGCVIDLQPCQO-QKYKPSJUSA-N
XLogP15.15
TPSA36.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500833.00
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-(8,15-dioxatetracyclo[14.4.0.02,7.09,14]icosa-1(20),2(7),3,5,9,11,13,16,18-nonaen-4-yl)-9-phenylcarbazole
CID 145223329
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 118149414
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-6-(3-dibenzofuran-2-ylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632674
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 89491924
3-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazole
CID 90211475

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole?
The IUPAC name of 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole (CID 137474196) is 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole?
The canonical SMILES for 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole is C=C(/C=c1\c(=C/C)n(-c2ccccc2)c2ccccc12)c1ccc2oc3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)cc3c2c1.
What is the InChIKey of 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole?
The InChIKey is UGGGCVIDLQPCQO-QKYKPSJUSA-N. The full InChI is InChI=1S/C61H40N2O2/c1-3-54-49(46-15-7-10-18-55(46)62(54)44-13-5-4-6-14-44)33-38(2)40-24-30-60-52(34-40)53-37-43(26-32-61(53)65-60)42-23-29-57-50(35-42)47-16-8-11-19-56(47)63(57)45-27-21-39(22-28-45)41-25-31-59-51(36-41)48-17-9-12-20-58(48)64-59/h3-37H,2H2,1H3/b49-33-,54-3+.
What are the key properties of 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole?
9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole has a molecular weight of 833.00 g/mol, XLogP of 15.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-2-ylphenyl)-3-[8-[(3Z)-3-[(2E)-2-ethylidene-1-phenylindol-3-ylidene]prop-1-en-2-yl]dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 137474196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).