(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol

C72H56N6O3 — CID 153374734

IUPAC(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol
SMILESCCn1c2ccccc2c2cc(C(O)c3ccc(-c4ccc5c(c4)c4cc([C@@H](O)c6ccc(-c7ccc8c(c7)c7cc([C@H](O)c9cccc%10cccnc9%10)ccc7n8CC)c7cccnc67)ccc4n5CC)c4cccnc34)ccc21
InChIInChI=1S/C72H56N6O3/c1-4-76-61-19-8-7-15-50(61)56-39-45(22-31-62(56)76)71(80)54-27-25-48(51-17-11-35-74-68(51)54)44-21-30-64-58(38-44)60-41-47(24-33-66(60)78(64)6-3)72(81)55-28-26-49(52-18-12-36-75-69(52)55)43-20-29-63-57(37-43)59-40-46(23-32-65(59)77(63)5-2)70(79)53-16-9-13-42-14-10-34-73-67(42)53/h7-41,70-72,79-81H,4-6H2,1-3H3/t70-,71?,72+/m0/s1
InChIKeyZDLHZKRZPPXKHF-NUTOLPPNSA-N
MW1053.28 g/mol
LogP16.29
Rot. Bonds11

About (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol

(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol (PubChem CID 153374734) has the molecular formula C72H56N6O3 and a molecular weight of 1053.28 g/mol. Its IUPAC name is (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol.

Molecular Properties

Compound Name(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol
PubChem CID153374734
Molecular FormulaC72H56N6O3
Molecular Weight1053.28 g/mol
Exact Mass1052.44
IUPAC Name(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol
SMILESCCn1c2ccccc2c2cc(C(O)c3ccc(-c4ccc5c(c4)c4cc([C@@H](O)c6ccc(-c7ccc8c(c7)c7cc([C@H](O)c9cccc%10cccnc9%10)ccc7n8CC)c7cccnc67)ccc4n5CC)c4cccnc34)ccc21
InChIInChI=1S/C72H56N6O3/c1-4-76-61-19-8-7-15-50(61)56-39-45(22-31-62(56)76)71(80)54-27-25-48(51-17-11-35-74-68(51)54)44-21-30-64-58(38-44)60-41-47(24-33-66(60)78(64)6-3)72(81)55-28-26-49(52-18-12-36-75-69(52)55)43-20-29-63-57(37-43)59-40-46(23-32-65(59)77(63)5-2)70(79)53-16-9-13-42-14-10-34-73-67(42)53/h7-41,70-72,79-81H,4-6H2,1-3H3/t70-,71?,72+/m0/s1
InChIKeyZDLHZKRZPPXKHF-NUTOLPPNSA-N
XLogP16.29
TPSA114.15 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.28
LogP ≤ 516.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol with MolForge

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Related Compounds

Tetradehydrolongicaudatine
CID 49863628
(1R,11S,12R,13R,14E,19S,21S)-14-ethylidene-10-[(2S,3E)-3-ethylidene-2,4-dihydro-1H-indolo[2,3-a]quinolizin-2-yl]-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol
CID 163192960
(9-Ethylcarbazol-3-yl)-quinolin-5-ylmethanol
CID 151965559
(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol
CID 155805418
Strychochrysine
CID 5470732
3',4',5',6'-Tetradehydrolongicaudatine Y
CID 49863629
[3-[10-[4-(5,7-Diphenylpyrido[3,4-b]indol-9-yl)-3-fluorophenyl]anthracen-9-yl]phenyl]methanol
CID 88356974
9-(2,2-Diphenylethyl)-7-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)pyrrolo[3,4-g]quinolin-8-ol
CID 91047653
1-[1-(4-Fluorophenyl)-5-phenylpyrazolo[3,4-f]isoquinolin-3-yl]-2-[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazolo[3,4-f]isoquinolin-3-yl]ethane-1,2-diol
CID 91572471
CID 123432864
CID 123432864
10,12-Dimethyl-5',25-diphenyl-5,10'-bis(trifluoromethyl)spiro[9,13-dioxa-25-aza-7-azoniapentacyclo[15.11.0.02,7.018,26.019,24]octacosa-1(17),2(7),3,5,18(26),19,21,23,27-nonaene-14,13'-indolizino[1,2-c]carbazol-12-ium]
CID 123524701
[3,4-Difluoro-5-(1-methylindol-2-yl)-2-(1-methylindol-3-yl)-6-quinolin-4-ylphenyl]methanol
CID 141118634

Frequently Asked Questions

What is the IUPAC name of (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol?
The IUPAC name of (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol (CID 153374734) is (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol.
What is the SMILES notation for (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol?
The canonical SMILES for (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol is CCn1c2ccccc2c2cc(C(O)c3ccc(-c4ccc5c(c4)c4cc([C@@H](O)c6ccc(-c7ccc8c(c7)c7cc([C@H](O)c9cccc%10cccnc9%10)ccc7n8CC)c7cccnc67)ccc4n5CC)c4cccnc34)ccc21.
What is the InChIKey of (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol?
The InChIKey is ZDLHZKRZPPXKHF-NUTOLPPNSA-N. The full InChI is InChI=1S/C72H56N6O3/c1-4-76-61-19-8-7-15-50(61)56-39-45(22-31-62(56)76)71(80)54-27-25-48(51-17-11-35-74-68(51)54)44-21-30-64-58(38-44)60-41-47(24-33-66(60)78(64)6-3)72(81)55-28-26-49(52-18-12-36-75-69(52)55)43-20-29-63-57(37-43)59-40-46(23-32-65(59)77(63)5-2)70(79)53-16-9-13-42-14-10-34-73-67(42)53/h7-41,70-72,79-81H,4-6H2,1-3H3/t70-,71?,72+/m0/s1.
What are the key properties of (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol?
(R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol has a molecular weight of 1053.28 g/mol, XLogP of 16.29, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[9-ethyl-6-[8-[(9-ethylcarbazol-3-yl)-hydroxymethyl]quinolin-5-yl]carbazol-3-yl]-[5-[9-ethyl-6-[(S)-hydroxy(quinolin-8-yl)methyl]carbazol-3-yl]quinolin-8-yl]methanol is sourced from PubChem (CID 153374734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).