9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate

C43H49NO11P2 — CID 145293071

IUPAC9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate
SMILESC/C=C\C1(C)/C(=C\C=O)CCC2C1C(O)CC1(C)C(C(=O)COP(=O)(O)OP(O)Oc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)CCC21
InChIInChI=1S/C43H49NO11P2/c1-4-22-42(2)27(21-23-45)13-18-34-36-19-20-37(43(36,3)24-38(46)40(34)42)39(47)26-53-57(50,51)55-56(49)54-29-16-14-28(15-17-29)44-41(48)52-25-35-32-11-7-5-9-30(32)31-10-6-8-12-33(31)35/h4-12,14-17,21-23,34-38,40,46,49H,13,18-20,24-26H2,1-3H3,(H,44,48)(H,50,51)/b22-4-,27-21-
InChIKeyLZIRWUAQXMKEEJ-CBWMDFJYSA-N
MW817.81 g/mol
LogP8.88
Rot. Bonds13

About 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate

9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate (PubChem CID 145293071) has the molecular formula C43H49NO11P2 and a molecular weight of 817.81 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate
PubChem CID145293071
Molecular FormulaC43H49NO11P2
Molecular Weight817.81 g/mol
Exact Mass817.28
IUPAC Name9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate
SMILESC/C=C\C1(C)/C(=C\C=O)CCC2C1C(O)CC1(C)C(C(=O)COP(=O)(O)OP(O)Oc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)CCC21
InChIInChI=1S/C43H49NO11P2/c1-4-22-42(2)27(21-23-45)13-18-34-36-19-20-37(43(36,3)24-38(46)40(34)42)39(47)26-53-57(50,51)55-56(49)54-29-16-14-28(15-17-29)44-41(48)52-25-35-32-11-7-5-9-30(32)31-10-6-8-12-33(31)35/h4-12,14-17,21-23,34-38,40,46,49H,13,18-20,24-26H2,1-3H3,(H,44,48)(H,50,51)/b22-4-,27-21-
InChIKeyLZIRWUAQXMKEEJ-CBWMDFJYSA-N
XLogP8.88
TPSA177.92 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.81
LogP ≤ 58.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate with MolForge

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Related Compounds

(2Z)-2-[3-but-1-enyl-5-hydroxy-3a,6-dimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde
CID 142854517
(2Z)-2-[5-hydroxy-3,3a,6-trimethyl-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-7-ylidene]acetaldehyde;N-methylpyridin-2-amine
CID 143830263
9H-fluoren-9-ylmethyl N-[4-(1-aminocyclopropyl)phenyl]carbamate
CID 175653920
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-[4-(tert-butylcarbamoyl)phenyl]carbamate
CID 90337303
9H-fluoren-9-ylmethyl N-(4-chlorophenyl)carbamate
CID 12841540
9H-fluoren-9-ylmethyl N-[4-[(2-methylpropan-2-yl)oxycarbamoyl]phenyl]carbamate
CID 141231011
9H-fluoren-9-ylmethyl N-(4-nitrophenyl)carbamate
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9H-fluoren-9-ylmethyl N-[4-(cyclohexylcarbamoylamino)phenyl]carbamate
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9H-fluoren-9-ylmethyl N-[4-[(E)-2-cyanoethenyl]phenyl]carbamate
CID 148733041
[2-(11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] propanoate
CID 18755254
3,3a,6-trimethyl-7-methylidene-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-5-ol
CID 142985288

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate (CID 145293071) is 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate is C/C=C\C1(C)/C(=C\C=O)CCC2C1C(O)CC1(C)C(C(=O)COP(=O)(O)OP(O)Oc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)CCC21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate?
The InChIKey is LZIRWUAQXMKEEJ-CBWMDFJYSA-N. The full InChI is InChI=1S/C43H49NO11P2/c1-4-22-42(2)27(21-23-45)13-18-34-36-19-20-37(43(36,3)24-38(46)40(34)42)39(47)26-53-57(50,51)55-56(49)54-29-16-14-28(15-17-29)44-41(48)52-25-35-32-11-7-5-9-30(32)31-10-6-8-12-33(31)35/h4-12,14-17,21-23,34-38,40,46,49H,13,18-20,24-26H2,1-3H3,(H,44,48)(H,50,51)/b22-4-,27-21-.
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate has a molecular weight of 817.81 g/mol, XLogP of 8.88, 13 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-[hydroxy-[hydroxy-[2-[(7Z)-5-hydroxy-3a,6-dimethyl-7-(2-oxoethylidene)-6-[(Z)-prop-1-enyl]-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-3-yl]-2-oxoethoxy]phosphoryl]oxyphosphanyl]oxyphenyl]carbamate is sourced from PubChem (CID 145293071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).