5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

C42H30N2O — CID 126695503

IUPAC5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=Cc2c(n(C3C=C(c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)C=CC3)c3ccccc23)CC1
InChIInChI=1S/C42H30N2O/c1-6-19-35(44-38-22-9-4-18-34(38)41-39(44)25-24-33-32-17-5-10-23-40(32)45-42(33)41)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-7,9-12,14-20,22-26,28H,8,13,21H2
InChIKeyLQOBEUWHSWWYNJ-UHFFFAOYSA-N
MW578.72 g/mol
LogP11.18
Rot. Bonds3

About 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole

5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (PubChem CID 126695503) has the molecular formula C42H30N2O and a molecular weight of 578.72 g/mol. Its IUPAC name is 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
PubChem CID126695503
Molecular FormulaC42H30N2O
Molecular Weight578.72 g/mol
Exact Mass578.24
IUPAC Name5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole
SMILESC1=Cc2c(n(C3C=C(c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)C=CC3)c3ccccc23)CC1
InChIInChI=1S/C42H30N2O/c1-6-19-35(44-38-22-9-4-18-34(38)41-39(44)25-24-33-32-17-5-10-23-40(32)45-42(33)41)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-7,9-12,14-20,22-26,28H,8,13,21H2
InChIKeyLQOBEUWHSWWYNJ-UHFFFAOYSA-N
XLogP11.18
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.72
LogP ≤ 511.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
N-[4-[6-([1]benzofuro[3,2-c]carbazol-5-yl)-1,2-dihydrocarbazol-9-yl]phenyl]-N-(3-methylcyclohexa-1,5-dien-1-yl)naphthalen-2-amine
CID 144601209
6-dibenzofuran-2-yl-24-(5,6-dihydronaphthalen-1-yl)-15-oxa-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene;ethane
CID 144604354
6-(5-dibenzofuran-2-yl-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl)-9-phenyl-1,2-dihydrocarbazole
CID 163554857
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-(1,2-dihydrocarbazol-9-yl)carbazole
CID 67121591
5-[4-(2-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 176837415
carbanide;9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-23-oxa-9-azahexacyclo[11.11.0.02,10.03,8.016,24.017,22]tetracosa-1(13),2(10),3,5,7,11,14,16(24),17,19,21-undecaene
CID 159261054
4-[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-4-ylanilino)phenyl]-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(1,2-dihydrocarbazol-9-yl)phenyl]aniline
CID 88590520
9-(2-methylphenyl)-4-[3-(9-phenyl-7,8-dihydrocarbazol-1-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 146185724
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 155463130
9-[18-[3-(8-phenyldibenzofuran-2-yl)phenyl]-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14(19),15,17-nonaen-8-yl]-1,2-dihydrocarbazole
CID 67953551
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The IUPAC name of 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole (CID 126695503) is 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The canonical SMILES for 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is C1=Cc2c(n(C3C=C(c4ccccc4-n4c5ccccc5c5c6oc7ccccc7c6ccc54)C=CC3)c3ccccc23)CC1.
What is the InChIKey of 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
The InChIKey is LQOBEUWHSWWYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N2O/c1-6-19-35(44-38-22-9-4-18-34(38)41-39(44)25-24-33-32-17-5-10-23-40(32)45-42(33)41)29(14-1)27-12-11-13-28(26-27)43-36-20-7-2-15-30(36)31-16-3-8-21-37(31)43/h1-7,9-12,14-20,22-26,28H,8,13,21H2.
What are the key properties of 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole?
5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole has a molecular weight of 578.72 g/mol, XLogP of 11.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-(1,2-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]phenyl]-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 126695503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).