8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline

C158H102N16 — CID 159226043

IUPAC8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c(ccc4c(-c5ccccc5)nc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc4nc(-c5cccc6ccccc56)nc(-c5ccccc5)c4c3n2)cc1
InChIInChI=1S/C46H30N4.C40H26N4.C38H24N4.C34H22N4/c1-5-13-31(14-6-1)33-21-25-36(26-22-33)42-39-29-30-40-41(43(35-17-9-3-10-18-35)49-45(47-40)37-19-11-4-12-20-37)44(39)50-46(48-42)38-27-23-34(24-28-38)32-15-7-2-8-16-32;1-5-13-27(14-6-1)28-21-23-32(24-22-28)40-42-36(29-15-7-2-8-16-29)33-25-26-34-35(38(33)44-40)37(30-17-9-3-10-18-30)43-39(41-34)31-19-11-4-12-20-31;1-4-14-26(15-5-1)34-31-23-24-32-33(36(31)42-37(40-34)28-18-8-3-9-19-28)35(27-16-6-2-7-17-27)41-38(39-32)30-22-12-20-25-13-10-11-21-29(25)30;1-5-13-23(14-6-1)30-27-21-22-28-29(32(27)38-34(36-30)26-19-11-4-12-20-26)31(24-15-7-2-8-16-24)37-33(35-28)25-17-9-3-10-18-25/h1-30H;1-26H;1-24H;1-22H
InChIKeyKSHJXZQAQHQVSB-UHFFFAOYSA-N
MW2224.67 g/mol
LogP39.12
Rot. Bonds19

About 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline

8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline (PubChem CID 159226043) has the molecular formula C158H102N16 and a molecular weight of 2224.67 g/mol. Its IUPAC name is 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline.

Molecular Properties

Compound Name8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline
PubChem CID159226043
Molecular FormulaC158H102N16
Molecular Weight2224.67 g/mol
Exact Mass2222.85
IUPAC Name8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c(ccc4c(-c5ccccc5)nc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc4nc(-c5cccc6ccccc56)nc(-c5ccccc5)c4c3n2)cc1
InChIInChI=1S/C46H30N4.C40H26N4.C38H24N4.C34H22N4/c1-5-13-31(14-6-1)33-21-25-36(26-22-33)42-39-29-30-40-41(43(35-17-9-3-10-18-35)49-45(47-40)37-19-11-4-12-20-37)44(39)50-46(48-42)38-27-23-34(24-28-38)32-15-7-2-8-16-32;1-5-13-27(14-6-1)28-21-23-32(24-22-28)40-42-36(29-15-7-2-8-16-29)33-25-26-34-35(38(33)44-40)37(30-17-9-3-10-18-30)43-39(41-34)31-19-11-4-12-20-31;1-4-14-26(15-5-1)34-31-23-24-32-33(36(31)42-37(40-34)28-18-8-3-9-19-28)35(27-16-6-2-7-17-27)41-38(39-32)30-22-12-20-25-13-10-11-21-29(25)30;1-5-13-23(14-6-1)30-27-21-22-28-29(32(27)38-34(36-30)26-19-11-4-12-20-26)31(24-15-7-2-8-16-24)37-33(35-28)25-17-9-3-10-18-25/h1-30H;1-26H;1-24H;1-22H
InChIKeyKSHJXZQAQHQVSB-UHFFFAOYSA-N
XLogP39.12
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms174
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002224.67
LogP ≤ 539.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline with MolForge

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Related Compounds

3-[4-[3-[3-(3-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-1-phenylbenzo[f]quinazoline
CID 118529237
2-phenanthren-1-yl-4-(4-phenylphenyl)quinazoline
CID 118487412
2-naphthalen-2-yl-9-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-4-phenylbenzo[h]quinazoline
CID 155364610
2-(7-pentacyclo[12.8.0.02,11.03,8.015,20]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)-4-(4-phenylphenyl)quinazoline
CID 167087669
3-naphthalen-2-yl-1-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline;bis(2-naphthalen-2-yl-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]benzo[h]quinazoline);3-naphthalen-2-yl-1-[4-[4-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[f]quinazoline;2-naphthalen-2-yl-4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzo[h]quinazoline
CID 160741572
3-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-naphthalen-1-ylbenzo[f]quinazoline
CID 118529301
1-[3-[4-(3-phenylphenyl)phenyl]phenyl]-3-[4-[4-(3-phenylphenyl)phenyl]phenyl]benzo[f]quinazoline
CID 118529117
1-[4-[4-[3-(3-naphthalen-2-ylphenyl)phenyl]phenyl]phenyl]-3-phenylbenzo[f]quinazoline
CID 118529244
4-[4-(2,4-diphenylpyrimidin-5-yl)phenyl]-2-naphthalen-1-ylquinazoline
CID 163860497
6-[4-(4-naphthalen-1-ylquinazolin-2-yl)phenyl]benzo[k]phenanthridine
CID 122665212
4-phenyl-2-[4-(4-phenylphenyl)phenyl]phenanthro[9,10-d]pyrimidine
CID 155140914
9-(4-naphthalen-1-yl-6-phenylpyrimidin-2-yl)-2,4-diphenylbenzo[h]quinazoline
CID 155364712

Frequently Asked Questions

What is the IUPAC name of 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline?
The IUPAC name of 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline (CID 159226043) is 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline.
What is the SMILES notation for 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline?
The canonical SMILES for 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4ccc5nc(-c6ccccc6)nc(-c6ccccc6)c5c4n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)c3c(ccc4c(-c5ccccc5)nc(-c5ccccc5)nc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)c3ccc4nc(-c5cccc6ccccc56)nc(-c5ccccc5)c4c3n2)cc1.
What is the InChIKey of 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline?
The InChIKey is KSHJXZQAQHQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N4.C40H26N4.C38H24N4.C34H22N4/c1-5-13-31(14-6-1)33-21-25-36(26-22-33)42-39-29-30-40-41(43(35-17-9-3-10-18-35)49-45(47-40)37-19-11-4-12-20-37)44(39)50-46(48-42)38-27-23-34(24-28-38)32-15-7-2-8-16-32;1-5-13-27(14-6-1)28-21-23-32(24-22-28)40-42-36(29-15-7-2-8-16-29)33-25-26-34-35(38(33)44-40)37(30-17-9-3-10-18-30)43-39(41-34)31-19-11-4-12-20-31;1-4-14-26(15-5-1)34-31-23-24-32-33(36(31)42-37(40-34)28-18-8-3-9-19-28)35(27-16-6-2-7-17-27)41-38(39-32)30-22-12-20-25-13-10-11-21-29(25)30;1-5-13-23(14-6-1)30-27-21-22-28-29(32(27)38-34(36-30)26-19-11-4-12-20-26)31(24-15-7-2-8-16-24)37-33(35-28)25-17-9-3-10-18-25/h1-30H;1-26H;1-24H;1-22H.
What are the key properties of 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline?
8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline has a molecular weight of 2224.67 g/mol, XLogP of 39.12, 19 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 8,10-diphenyl-2,4-bis(4-phenylphenyl)pyrimido[4,5-f]quinazoline;8-naphthalen-1-yl-2,4,10-triphenylpyrimido[4,5-f]quinazoline;2,4,8,10-tetraphenylpyrimido[4,5-f]quinazoline;4,8,10-triphenyl-2-(4-phenylphenyl)pyrimido[4,5-f]quinazoline is sourced from PubChem (CID 159226043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).