11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

C43H31NO — CID 90050914

IUPAC11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)C2=CC=C(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)CC2c2c1ccc1ccccc21
InChIInChI=1S/C43H31NO/c1-43(2)36-21-18-28(23-35(36)42-30-10-4-3-9-27(30)17-22-37(42)43)26-15-19-29(20-16-26)44-38-13-7-5-11-31(38)33-25-41-34(24-39(33)44)32-12-6-8-14-40(32)45-41/h3-22,24-25,35H,23H2,1-2H3
InChIKeyNYHRBZCDXKVVPH-UHFFFAOYSA-N
MW577.73 g/mol
LogP11.62
Rot. Bonds2

About 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole

11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 90050914) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID90050914
Molecular FormulaC43H31NO
Molecular Weight577.73 g/mol
Exact Mass577.24
IUPAC Name11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
SMILESCC1(C)C2=CC=C(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)CC2c2c1ccc1ccccc21
InChIInChI=1S/C43H31NO/c1-43(2)36-21-18-28(23-35(36)42-30-10-4-3-9-27(30)17-22-37(42)43)26-15-19-29(20-16-26)44-38-13-7-5-11-31(38)33-25-41-34(24-39(33)44)32-12-6-8-14-40(32)45-41/h3-22,24-25,35H,23H2,1-2H3
InChIKeyNYHRBZCDXKVVPH-UHFFFAOYSA-N
XLogP11.62
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 511.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole with MolForge

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Related Compounds

11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 102324620
11-[4-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]phenyl]-[1]benzofuro[3,2-b]carbazole
CID 167193420
4-([1]benzofuro[3,2-b]carbazol-11-yl)aniline
CID 175536388
15,15-dimethyl-19-[4-(4-methylphenyl)phenyl]-11-oxa-19-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 118891844
4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-N-phenylaniline
CID 135164572
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
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
11-[4-(4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 145077596
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
7-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)indolo[2,3-b]carbazole;2-(9-phenylcarbazol-3-yl)-5,7-bis(4-phenylphenyl)indolo[2,3-b]carbazole;10-(9-phenylcarbazol-3-yl)-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazole
CID 158696933

Frequently Asked Questions

What is the IUPAC name of 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole (CID 90050914) is 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is CC1(C)C2=CC=C(c3ccc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc3)CC2c2c1ccc1ccccc21.
What is the InChIKey of 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is NYHRBZCDXKVVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)36-21-18-28(23-35(36)42-30-10-4-3-9-27(30)17-22-37(42)43)26-15-19-29(20-16-26)44-38-13-7-5-11-31(38)33-25-41-34(24-39(33)44)32-12-6-8-14-40(32)45-41/h3-22,24-25,35H,23H2,1-2H3.
What are the key properties of 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole?
11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 577.73 g/mol, XLogP of 11.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(7,7-dimethyl-11,11a-dihydrobenzo[c]fluoren-10-yl)phenyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 90050914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).