9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]

C35H24BrN — CID 142293637

IUPAC9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
SMILESBrc1ccc2c(c1)C1(C3=C2c2ccccc2CC3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C35H24BrN/c36-24-19-20-27-31(22-24)35(30-21-18-23-10-4-5-13-26(23)34(27)30)28-14-6-8-16-32(28)37(25-11-2-1-3-12-25)33-17-9-7-15-29(33)35/h1-17,19-20,22H,18,21H2
InChIKeyRTJLWMCFZNVWIG-UHFFFAOYSA-N
MW538.49 g/mol
LogP9.33
Rot. Bonds1

About 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]

9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] (PubChem CID 142293637) has the molecular formula C35H24BrN and a molecular weight of 538.49 g/mol. Its IUPAC name is 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine].

Molecular Properties

Compound Name9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
PubChem CID142293637
Molecular FormulaC35H24BrN
Molecular Weight538.49 g/mol
Exact Mass537.11
IUPAC Name9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]
SMILESBrc1ccc2c(c1)C1(C3=C2c2ccccc2CC3)c2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C35H24BrN/c36-24-19-20-27-31(22-24)35(30-21-18-23-10-4-5-13-26(23)34(27)30)28-14-6-8-16-32(28)37(25-11-2-1-3-12-25)33-17-9-7-15-29(33)35/h1-17,19-20,22H,18,21H2
InChIKeyRTJLWMCFZNVWIG-UHFFFAOYSA-N
XLogP9.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.49
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] with MolForge

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Related Compounds

7-bromo-10'-phenylspiro[1,2,3,4-tetrahydroindeno[1,2-b]pyridine-5,9'-acridine]
CID 145412668
5',14'-dibromo-10-phenylspiro[acridine-9,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,9,12,14-heptaene]
CID 126551793
9-methylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-fluorene]
CID 145137943
10-phenyl-2',7'-bis(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)spiro[acridine-9,9'-fluorene]
CID 102164734
2'-bromo-2-tert-butyl-10-(4-tert-butylphenyl)-7'-iodospiro[acridine-9,9'-fluorene]
CID 143268544
2',7'-dibromo-9,9'-spirobi[fluorene]
CID 15544767
2,7-dibromo-10'-(3,5-diphenylphenyl)-3-methylspiro[3,4-dihydrofluorene-9,9'-acridine]
CID 145096368
3-(3-bromophenyl)-9,9,10-triphenylacridine
CID 121259219
2-bromo-9-ethyl-9-methyl-10-(4-phenylphenyl)acridine
CID 71004078
2'-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 139521181
5-bromo-10'-phenylspiro[3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-8,9'-acridine]
CID 147334151
4-(5-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenylidene)-1-methylpiperidine
CID 12909393

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]?
The IUPAC name of 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] (CID 142293637) is 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine].
What is the SMILES notation for 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]?
The canonical SMILES for 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] is Brc1ccc2c(c1)C1(C3=C2c2ccccc2CC3)c2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]?
The InChIKey is RTJLWMCFZNVWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN/c36-24-19-20-27-31(22-24)35(30-21-18-23-10-4-5-13-26(23)34(27)30)28-14-6-8-16-32(28)37(25-11-2-1-3-12-25)33-17-9-7-15-29(33)35/h1-17,19-20,22H,18,21H2.
What are the key properties of 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine]?
9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] has a molecular weight of 538.49 g/mol, XLogP of 9.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10'-phenylspiro[5,6-dihydrobenzo[c]fluorene-7,9'-acridine] is sourced from PubChem (CID 142293637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).