(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate

C37H31NO4 — CID 143587116

IUPAC(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESCC1CC=CC2=C1C(COC(=O)NC1c3ccccc3Oc3cc(OCC4=CC5=CC46CC56)ccc31)c1ccccc12
InChIInChI=1S/C37H31NO4/c1-21-7-6-11-27-25-8-2-3-9-26(25)30(34(21)27)20-41-36(39)38-35-28-10-4-5-12-32(28)42-33-16-24(13-14-29(33)35)40-19-23-15-22-17-37(23)18-31(22)37/h2-6,8-17,21,30-31,35H,7,18-20H2,1H3,(H,38,39)
InChIKeyYTARABJSVAIGTG-UHFFFAOYSA-N
MW553.66 g/mol
LogP8.02
Rot. Bonds6

About (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate

(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate (PubChem CID 143587116) has the molecular formula C37H31NO4 and a molecular weight of 553.66 g/mol. Its IUPAC name is (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate.

Molecular Properties

Compound Name(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate
PubChem CID143587116
Molecular FormulaC37H31NO4
Molecular Weight553.66 g/mol
Exact Mass553.23
IUPAC Name(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate
SMILESCC1CC=CC2=C1C(COC(=O)NC1c3ccccc3Oc3cc(OCC4=CC5=CC46CC56)ccc31)c1ccccc12
InChIInChI=1S/C37H31NO4/c1-21-7-6-11-27-25-8-2-3-9-26(25)30(34(21)27)20-41-36(39)38-35-28-10-4-5-12-32(28)42-33-16-24(13-14-29(33)35)40-19-23-15-22-17-37(23)18-31(22)37/h2-6,8-17,21,30-31,35H,7,18-20H2,1H3,(H,38,39)
InChIKeyYTARABJSVAIGTG-UHFFFAOYSA-N
XLogP8.02
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.66
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(cyclobuten-1-ylmethoxy)-9H-xanthen-9-yl]carbamate
CID 143339626
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CID 126552590
9H-fluoren-9-ylmethyl N-[3-[(3,4,5-trioctadecoxyphenyl)methoxy]-9H-xanthen-9-yl]carbamate
CID 164735760
N-[3-(cyclononylmethoxy)-9H-xanthen-9-yl]pyrrolidine-2-carboxamide
CID 123841065
(1R,2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclopent-3-ene-1-carboxylic acid
CID 39345638
tert-butyl 3-[3-methoxy-2-[(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methoxycarbonylamino]-3-oxopropyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 163698946
3-(3-methoxyphenyl)-N-(9H-xanthen-9-yl)propanamide
CID 56547257
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
(1S,2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylic acid
CID 10498932
9H-fluoren-9-ylmethyl acetate;2-methoxy-9-methyl-9H-xanthene
CID 91286921
3-ethoxy-9H-xanthen-9-amine
CID 20793754
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616

Frequently Asked Questions

What is the IUPAC name of (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate?
The IUPAC name of (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate (CID 143587116) is (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate.
What is the SMILES notation for (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate?
The canonical SMILES for (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate is CC1CC=CC2=C1C(COC(=O)NC1c3ccccc3Oc3cc(OCC4=CC5=CC46CC56)ccc31)c1ccccc12.
What is the InChIKey of (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate?
The InChIKey is YTARABJSVAIGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31NO4/c1-21-7-6-11-27-25-8-2-3-9-26(25)30(34(21)27)20-41-36(39)38-35-28-10-4-5-12-32(28)42-33-16-24(13-14-29(33)35)40-19-23-15-22-17-37(23)18-31(22)37/h2-6,8-17,21,30-31,35H,7,18-20H2,1H3,(H,38,39).
What are the key properties of (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate?
(1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate has a molecular weight of 553.66 g/mol, XLogP of 8.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-2,9-dihydro-1H-fluoren-9-yl)methyl N-[3-(6-tricyclo[2.2.1.01,3]hepta-4(7),5-dienylmethoxy)-9H-xanthen-9-yl]carbamate is sourced from PubChem (CID 143587116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).