3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol

C34H28N2O2 — CID 170680378

IUPAC3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol
SMILESCCn1c2ccccc2c2c(-c3cccc(O)c3)c3c(c(-c4cccc(O)c4)c21)c1ccccc1n3CC
InChIInChI=1S/C34H28N2O2/c1-3-35-27-17-7-5-15-25(27)31-30(22-12-10-14-24(38)20-22)34-32(26-16-6-8-18-28(26)36(34)4-2)29(33(31)35)21-11-9-13-23(37)19-21/h5-20,37-38H,3-4H2,1-2H3
InChIKeyFWFNWBDTCWPYHH-UHFFFAOYSA-N
MW496.61 g/mol
LogP8.69
Rot. Bonds4

About 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol

3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol (PubChem CID 170680378) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol.

Molecular Properties

Compound Name3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol
PubChem CID170680378
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol
SMILESCCn1c2ccccc2c2c(-c3cccc(O)c3)c3c(c(-c4cccc(O)c4)c21)c1ccccc1n3CC
InChIInChI=1S/C34H28N2O2/c1-3-35-27-17-7-5-15-25(27)31-30(22-12-10-14-24(38)20-22)34-32(26-16-6-8-18-28(26)36(34)4-2)29(33(31)35)21-11-9-13-23(37)19-21/h5-20,37-38H,3-4H2,1-2H3
InChIKeyFWFNWBDTCWPYHH-UHFFFAOYSA-N
XLogP8.69
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 58.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

21-ethyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene
CID 20520657
4-[12-(3,4-dihydroxyphenyl)-5,11-bis(2-methylpropyl)indolo[3,2-b]carbazol-6-yl]benzene-1,2-diol
CID 170680308
6-bromo-9-ethyl-1-phenylcarbazole
CID 174702524
1-bromo-9-ethylcarbazole
CID 19736997
4,27-diethyl-4,27-diazaheptacyclo[15.11.0.02,14.03,11.05,10.020,28.021,26]octacosa-1(17),2(14),3(11),5,7,9,12,15,18,20(28),21,23,25-tridecaene
CID 177442338
3-[3,5-bis(9-ethylcarbazol-3-yl)phenyl]-9-ethyl-1-[9-ethyl-6-[3-[3-[3-(9-ethylcarbazol-3-yl)phenyl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 163418065
12-[9,9-bis(prop-2-ynyl)fluoren-2-yl]-5,11-diethyl-6-(9-ethyl-9-prop-2-ynylfluoren-2-yl)indolo[3,2-b]carbazole
CID 170314412
9,18-diethyl-9,18-diazaheptacyclo[15.11.0.02,10.03,8.011,16.019,28.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,19(28),20,22,24,26-tridecaene
CID 159952707
9-ethyl-3-phenyl-6-(3-phenylphenyl)carbazole
CID 167189399
9-ethyl-3-[4-[10-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]anthracen-9-yl]phenyl]-6-(4-phenylphenyl)carbazole;9-ethyl-3-[4-[4-[10-[4-[4-(9-ethyl-6-phenylcarbazol-3-yl)phenyl]phenyl]anthracen-9-yl]phenyl]phenyl]-6-(4-phenylphenyl)carbazole
CID 158925284
9-ethyl-1-methylcarbazole-3,6-diol
CID 69337155
3-anthracen-9-ylphenol
CID 91210590

Frequently Asked Questions

What is the IUPAC name of 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol?
The IUPAC name of 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol (CID 170680378) is 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol.
What is the SMILES notation for 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol?
The canonical SMILES for 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol is CCn1c2ccccc2c2c(-c3cccc(O)c3)c3c(c(-c4cccc(O)c4)c21)c1ccccc1n3CC.
What is the InChIKey of 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol?
The InChIKey is FWFNWBDTCWPYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-3-35-27-17-7-5-15-25(27)31-30(22-12-10-14-24(38)20-22)34-32(26-16-6-8-18-28(26)36(34)4-2)29(33(31)35)21-11-9-13-23(37)19-21/h5-20,37-38H,3-4H2,1-2H3.
What are the key properties of 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol?
3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol has a molecular weight of 496.61 g/mol, XLogP of 8.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5,11-diethyl-12-(3-hydroxyphenyl)indolo[3,2-b]carbazol-6-yl]phenol is sourced from PubChem (CID 170680378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).