7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]

C59H35N3 — CID 134335959

IUPAC7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3ncncc32)cc1
InChIInChI=1S/C59H35N3/c1-2-17-38(18-3-1)62-54-28-13-11-21-41(54)49-32-48-40-20-10-12-27-50(40)59(52(48)33-55(49)62)51-31-37(29-30-47(51)58-53(59)34-60-35-61-58)56-43-22-6-8-24-45(43)57(46-25-9-7-23-44(46)56)42-26-14-16-36-15-4-5-19-39(36)42/h1-35H
InChIKeyCVGHMDDBYFUJSS-UHFFFAOYSA-N
MW785.95 g/mol
LogP14.71
Rot. Bonds3

About 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]

7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] (PubChem CID 134335959) has the molecular formula C59H35N3 and a molecular weight of 785.95 g/mol. Its IUPAC name is 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole].

Molecular Properties

Compound Name7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]
PubChem CID134335959
Molecular FormulaC59H35N3
Molecular Weight785.95 g/mol
Exact Mass785.28
IUPAC Name7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]
SMILESc1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3ncncc32)cc1
InChIInChI=1S/C59H35N3/c1-2-17-38(18-3-1)62-54-28-13-11-21-41(54)49-32-48-40-20-10-12-27-50(40)59(52(48)33-55(49)62)51-31-37(29-30-47(51)58-53(59)34-60-35-61-58)56-43-22-6-8-24-45(43)57(46-25-9-7-23-44(46)56)42-26-14-16-36-15-4-5-19-39(36)42/h1-35H
InChIKeyCVGHMDDBYFUJSS-UHFFFAOYSA-N
XLogP14.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500785.95
LogP ≤ 514.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5'-phenyl-2'-(9-phenylcarbazol-1-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 89472005
5'-phenyl-2-pyridin-2-ylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 90335745
7'-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(24),2,4,6,8,10,13,15(23),17,19,21-undecaene-16,5'-indeno[1,2-c]pyridazine]
CID 134335969
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(9-phenylcarbazol-3-yl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 59306636
5'-phenyl-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 130288956
9-phenyl-3-spiro[benzo[c]fluorene-7,9'-fluorene]-2'-ylcarbazole
CID 129264521
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
9-phenyl-2-[3-(9-phenylcarbazol-3-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole
CID 140922382
9-phenyl-2-spiro[fluorene-9,23'-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene]-2-ylcarbazole
CID 134528134
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628

Frequently Asked Questions

What is the IUPAC name of 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]?
The IUPAC name of 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] (CID 134335959) is 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole].
What is the SMILES notation for 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]?
The canonical SMILES for 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] is c1ccc(-n2c3ccccc3c3cc4c(cc32)C2(c3ccccc3-4)c3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3-c3ncncc32)cc1.
What is the InChIKey of 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]?
The InChIKey is CVGHMDDBYFUJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N3/c1-2-17-38(18-3-1)62-54-28-13-11-21-41(54)49-32-48-40-20-10-12-27-50(40)59(52(48)33-55(49)62)51-31-37(29-30-47(51)58-53(59)34-60-35-61-58)56-43-22-6-8-24-45(43)57(46-25-9-7-23-44(46)56)42-26-14-16-36-15-4-5-19-39(36)42/h1-35H.
What are the key properties of 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole]?
7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] has a molecular weight of 785.95 g/mol, XLogP of 14.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(10-naphthalen-1-ylanthracen-9-yl)-5'-phenylspiro[indeno[1,2-d]pyrimidine-5,7'-indeno[2,1-b]carbazole] is sourced from PubChem (CID 134335959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).