9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole

C43H27NO — CID 145167490

IUPAC9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole
SMILESC/C=C1/c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc43)c21
InChIInChI=1S/C43H27NO/c1-2-29-31-12-5-6-13-32(31)34-15-9-17-39(42(29)34)44-37-16-8-7-14-33(37)35-24-27(18-21-38(35)44)28-20-22-40-36(25-28)43-30-11-4-3-10-26(30)19-23-41(43)45-40/h2-25H,1H3/b29-2-
InChIKeyLKWJNKQKECUWSR-NEPIHPRYSA-N
MW573.70 g/mol
LogP11.94
Rot. Bonds2

About 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole

9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole (PubChem CID 145167490) has the molecular formula C43H27NO and a molecular weight of 573.70 g/mol. Its IUPAC name is 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole.

Molecular Properties

Compound Name9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole
PubChem CID145167490
Molecular FormulaC43H27NO
Molecular Weight573.70 g/mol
Exact Mass573.21
IUPAC Name9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole
SMILESC/C=C1/c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc43)c21
InChIInChI=1S/C43H27NO/c1-2-29-31-12-5-6-13-32(31)34-15-9-17-39(42(29)34)44-37-16-8-7-14-33(37)35-24-27(18-21-38(35)44)28-20-22-40-36(25-28)43-30-11-4-3-10-26(30)19-23-41(43)45-40/h2-25H,1H3/b29-2-
InChIKeyLKWJNKQKECUWSR-NEPIHPRYSA-N
XLogP11.94
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.70
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)-2-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 130326018
6-[4-(2,3,4,5,6-pentahydroxyphenyl)-6-[9-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]benzene-1,2,3,4,5-pentol
CID 170370909
9-dibenzofuran-1-yl-3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]carbazole
CID 139568398
10-[4-[10-(2-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]naphtho[2,1-b][1]benzofuran
CID 146652374
2-(9-dibenzofuran-1-ylcarbazol-3-yl)-5-(2-phenylphenyl)benzo[b]carbazole
CID 167243453
4-[3-(3-naphtho[2,1-b][1]benzofuran-10-ylcarbazol-9-yl)phenyl]-3-azatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5(16),6,8,10,12,14-octaene
CID 130325707
3-anthracen-9-yl-9-dibenzofuran-1-ylcarbazole
CID 118504741
9-[8-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]dibenzofuran-1-yl]carbazole
CID 169010518
CID 163651094
CID 163651094
10-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]naphtho[2,1-b][1]benzofuran
CID 88568907
2-(10-naphtho[2,1-b][1]benzofuran-10-ylanthracen-9-yl)-7-[2-(10-naphtho[2,3-b][1]benzofuran-2-ylanthracen-9-yl)naphtho[7,6-b][1]benzofuran-7-yl]naphtho[2,3-b][1]benzofuran
CID 174184732
3-[9-(2,4-diphenylquinazolin-7-yl)dibenzofuran-2-yl]-9-naphthalen-1-ylcarbazole
CID 134594940

Frequently Asked Questions

What is the IUPAC name of 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole?
The IUPAC name of 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole (CID 145167490) is 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole.
What is the SMILES notation for 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole?
The canonical SMILES for 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole is C/C=C1/c2ccccc2-c2cccc(-n3c4ccccc4c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)ccc43)c21.
What is the InChIKey of 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole?
The InChIKey is LKWJNKQKECUWSR-NEPIHPRYSA-N. The full InChI is InChI=1S/C43H27NO/c1-2-29-31-12-5-6-13-32(31)34-15-9-17-39(42(29)34)44-37-16-8-7-14-33(37)35-24-27(18-21-38(35)44)28-20-22-40-36(25-28)43-30-11-4-3-10-26(30)19-23-41(43)45-40/h2-25H,1H3/b29-2-.
What are the key properties of 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole?
9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole has a molecular weight of 573.70 g/mol, XLogP of 11.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(9Z)-9-ethylidenefluoren-1-yl]-3-naphtho[2,1-b][1]benzofuran-10-ylcarbazole is sourced from PubChem (CID 145167490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).