(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene

C30H30 — CID 98518751

IUPAC(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene
SMILESC[C@H]1c2c(ccc3ccccc23)CC[C@@H]1C[C@@H]1CCCc2ccc3ccccc3c21
InChIInChI=1S/C30H30/c1-20-25(18-17-24-16-14-21-7-2-4-11-27(21)29(20)24)19-26-10-6-9-23-15-13-22-8-3-5-12-28(22)30(23)26/h2-5,7-8,11-16,20,25-26H,6,9-10,17-19H2,1H3/t20-,25-,26+/m1/s1
InChIKeyPCQOPYQWOJOSGA-VANUSSGQSA-N
MW390.57 g/mol
LogP8.17
Rot. Bonds2

About (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene

(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene (PubChem CID 98518751) has the molecular formula C30H30 and a molecular weight of 390.57 g/mol. Its IUPAC name is (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene
PubChem CID98518751
Molecular FormulaC30H30
Molecular Weight390.57 g/mol
Exact Mass390.23
IUPAC Name(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene
SMILESC[C@H]1c2c(ccc3ccccc23)CC[C@@H]1C[C@@H]1CCCc2ccc3ccccc3c21
InChIInChI=1S/C30H30/c1-20-25(18-17-24-16-14-21-7-2-4-11-27(21)29(20)24)19-26-10-6-9-23-15-13-22-8-3-5-12-28(22)30(23)26/h2-5,7-8,11-16,20,25-26H,6,9-10,17-19H2,1H3/t20-,25-,26+/m1/s1
InChIKeyPCQOPYQWOJOSGA-VANUSSGQSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetrahydrochrysen-4-ylmethanamine
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CID 10632343
4-cyclohexyl-1,2,3,4-tetrahydrochrysene
CID 174613496
2H-pyrrole;2-(1,2,3,4-tetrahydrochrysen-4-yl)ethanamine
CID 174813719
1,2,3,4-tetrahydrophenanthren-4-yl 2,2,2-trifluoroacetate
CID 91727399
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
CID 141011089
2-methyl-2,3-dihydro-1H-cyclopenta[a]naphthalen-1-amine
CID 118876039
1-methyl-2-(2-methylpropyl)-1,2,3,4-tetrahydrobenzo[f]isoquinoline
CID 64687617
3-undec-10-enyl-1,2,3,4-tetrahydrophenanthren-4-amine
CID 15754879
2-(1,2,3,4-tetrahydrochrysen-4-yl)quinoline
CID 174315423
1,2,3,4-tetrahydroanthracen-1-ylmethanamine
CID 151662391

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene (CID 98518751) is (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene is C[C@H]1c2c(ccc3ccccc23)CC[C@@H]1C[C@@H]1CCCc2ccc3ccccc3c21.
What is the InChIKey of (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is PCQOPYQWOJOSGA-VANUSSGQSA-N. The full InChI is InChI=1S/C30H30/c1-20-25(18-17-24-16-14-21-7-2-4-11-27(21)29(20)24)19-26-10-6-9-23-15-13-22-8-3-5-12-28(22)30(23)26/h2-5,7-8,11-16,20,25-26H,6,9-10,17-19H2,1H3/t20-,25-,26+/m1/s1.
What are the key properties of (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene?
(3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 390.57 g/mol, XLogP of 8.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-3-[[(4S)-1,2,3,4-tetrahydrophenanthren-4-yl]methyl]-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 98518751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).