(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

C52H34Br2N2 — CID 58879545

IUPAC(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3ccc(Br)cc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(Br)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C52H34Br2N2/c1-27-19-40-38-7-5-17-55-49(38)51(44(40)21-29(27)3)43-16-12-33(53)25-42(43)37-14-10-32(24-47(37)51)31-9-13-35-36-15-11-34(54)26-48(36)52(46(35)23-31)45-22-30(4)28(2)20-41(45)39-8-6-18-56-50(39)52/h5-26H,1-4H3/t51-,52-/m1/s1
InChIKeyXNJUIOLQHXKQKP-YWSWRHJRSA-N
MW846.67 g/mol
LogP13.59
Rot. Bonds1

About (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]

(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (PubChem CID 58879545) has the molecular formula C52H34Br2N2 and a molecular weight of 846.67 g/mol. Its IUPAC name is (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].

Molecular Properties

Compound Name(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
PubChem CID58879545
Molecular FormulaC52H34Br2N2
Molecular Weight846.67 g/mol
Exact Mass844.11
IUPAC Name(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]
SMILESCc1cc2c(cc1C)[C@@]1(c3ccc(Br)cc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(Br)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2
InChIInChI=1S/C52H34Br2N2/c1-27-19-40-38-7-5-17-55-49(38)51(44(40)21-29(27)3)43-16-12-33(53)25-42(43)37-14-10-32(24-47(37)51)31-9-13-35-36-15-11-34(54)26-48(36)52(46(35)23-31)45-22-30(4)28(2)20-41(45)39-8-6-18-56-50(39)52/h5-26H,1-4H3/t51-,52-/m1/s1
InChIKeyXNJUIOLQHXKQKP-YWSWRHJRSA-N
XLogP13.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.67
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The IUPAC name of (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] (CID 58879545) is (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine].
What is the SMILES notation for (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The canonical SMILES for (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is Cc1cc2c(cc1C)[C@@]1(c3ccc(Br)cc3-c3ccc(-c4ccc5c(c4)[C@@]4(c6cc(Br)ccc6-5)c5cc(C)c(C)cc5-c5cccnc54)cc31)c1ncccc1-2.
What is the InChIKey of (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
The InChIKey is XNJUIOLQHXKQKP-YWSWRHJRSA-N. The full InChI is InChI=1S/C52H34Br2N2/c1-27-19-40-38-7-5-17-55-49(38)51(44(40)21-29(27)3)43-16-12-33(53)25-42(43)37-14-10-32(24-47(37)51)31-9-13-35-36-15-11-34(54)26-48(36)52(46(35)23-31)45-22-30(4)28(2)20-41(45)39-8-6-18-56-50(39)52/h5-26H,1-4H3/t51-,52-/m1/s1.
What are the key properties of (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]?
(9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] has a molecular weight of 846.67 g/mol, XLogP of 13.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-2-bromo-7-[(9S)-6-bromo-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine]-2-yl]-6',7'-dimethylspiro[fluorene-9,9'-indeno[2,1-b]pyridine] is sourced from PubChem (CID 58879545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).