5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

C66H38N4 — CID 144681365

IUPAC5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7cccc8c9cccc%10c9c(cc9c%10c%10ccccc%10n9-c9cccc%10ccccc9%10)c(cc65)c87)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C66H38N4/c1-3-19-43-39(15-1)17-11-24-44(43)41-33-35-42(36-34-41)65-48-21-5-8-29-55(48)67-66(68-65)70-58-31-10-7-23-50(58)64-52-28-14-26-47-46-25-13-27-51-61(46)53(54(62(47)52)38-60(64)70)37-59-63(51)49-22-6-9-30-57(49)69(59)56-32-12-18-40-16-2-4-20-45(40)56/h1-38H
InChIKeyQXNMUWODDOICBO-UHFFFAOYSA-N
MW887.06 g/mol
LogP17.51
Rot. Bonds4

About 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (PubChem CID 144681365) has the molecular formula C66H38N4 and a molecular weight of 887.06 g/mol. Its IUPAC name is 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

Molecular Properties

Compound Name5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
PubChem CID144681365
Molecular FormulaC66H38N4
Molecular Weight887.06 g/mol
Exact Mass886.31
IUPAC Name5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
SMILESc1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7cccc8c9cccc%10c9c(cc9c%10c%10ccccc%10n9-c9cccc%10ccccc9%10)c(cc65)c87)nc5ccccc45)cc3)cccc2c1
InChIInChI=1S/C66H38N4/c1-3-19-43-39(15-1)17-11-24-44(43)41-33-35-42(36-34-41)65-48-21-5-8-29-55(48)67-66(68-65)70-58-31-10-7-23-50(58)64-52-28-14-26-47-46-25-13-27-51-61(46)53(54(62(47)52)38-60(64)70)37-59-63(51)49-22-6-9-30-57(49)69(59)56-32-12-18-40-16-2-4-20-45(40)56/h1-38H
InChIKeyQXNMUWODDOICBO-UHFFFAOYSA-N
XLogP17.51
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.06
LogP ≤ 517.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene with MolForge

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Related Compounds

5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-30-naphthalen-1-yl-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603580
5-naphthalen-1-yl-11-[4-(4-phenylphenyl)quinazolin-2-yl]indolo[3,2-b]carbazole
CID 138623408
5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603554
7-[4-(9-naphthalen-1-ylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 71109103
4-[9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
CID 118034704
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
5-[4-(2-benzo[c]carbazol-7-ylquinazolin-4-yl)phenyl]-7-phenylbenzo[c]carbazole
CID 71109304
5-phenyl-30-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
CID 118603560
9-[4-[2-(22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaen-22-yl)quinazolin-4-yl]phenyl]-22-[4-(4-phenylphenyl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154986284
10-naphthalen-1-yl-20-(4-phenylquinazolin-2-yl)-15-thia-10,20-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.021,26]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),21,23,25-dodecaene
CID 118242883
1-carbazol-9-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 155114247
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215703

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The IUPAC name of 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (CID 144681365) is 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.
What is the SMILES notation for 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The canonical SMILES for 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6c7cccc8c9cccc%10c9c(cc9c%10c%10ccccc%10n9-c9cccc%10ccccc9%10)c(cc65)c87)nc5ccccc45)cc3)cccc2c1.
What is the InChIKey of 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
The InChIKey is QXNMUWODDOICBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H38N4/c1-3-19-43-39(15-1)17-11-24-44(43)41-33-35-42(36-34-41)65-48-21-5-8-29-55(48)67-66(68-65)70-58-31-10-7-23-50(58)64-52-28-14-26-47-46-25-13-27-51-61(46)53(54(62(47)52)38-60(64)70)37-59-63(51)49-22-6-9-30-57(49)69(59)56-32-12-18-40-16-2-4-20-45(40)56/h1-38H.
What are the key properties of 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?
5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene has a molecular weight of 887.06 g/mol, XLogP of 17.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-yl-30-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is sourced from PubChem (CID 144681365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).