4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline

C175H112N12 — CID 157055848

IUPAC4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)nc4c3ccc3ccccc34)cc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4)cc32)cc1
InChIInChI=1S/C63H42N4.C58H36N4.C54H34N4/c1-63(2)54-21-11-8-18-47(54)48-32-28-43(37-55(48)63)60-52-34-26-39-14-6-7-17-46(39)61(52)65-62(64-60)40-24-30-45(31-25-40)66-57-23-13-10-20-50(57)53-36-41(29-35-58(53)66)42-27-33-51-49-19-9-12-22-56(49)67(59(51)38-42)44-15-4-3-5-16-44;1-2-15-44(16-3-1)62-52-20-10-8-18-47(52)49-31-27-42(36-55(49)62)41-28-33-54-51(35-41)48-19-9-11-21-53(48)61(54)45-29-24-39(25-30-45)58-59-56(43-23-22-37-12-4-5-14-40(37)34-43)50-32-26-38-13-6-7-17-46(38)57(50)60-58;1-3-14-36(15-4-1)52-46-31-25-35-13-7-8-18-42(35)53(46)56-54(55-52)37-23-28-41(29-24-37)57-49-22-12-10-20-44(49)47-33-38(27-32-50(47)57)39-26-30-45-43-19-9-11-21-48(43)58(51(45)34-39)40-16-5-2-6-17-40/h3-38H,1-2H3;1-36H;1-34H
InChIKeyAASZNHGOTVLXAM-UHFFFAOYSA-N
MW2382.90 g/mol
LogP45.39
Rot. Bonds15

About 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline

4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline (PubChem CID 157055848) has the molecular formula C175H112N12 and a molecular weight of 2382.90 g/mol. Its IUPAC name is 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline.

Molecular Properties

Compound Name4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
PubChem CID157055848
Molecular FormulaC175H112N12
Molecular Weight2382.90 g/mol
Exact Mass2380.91
IUPAC Name4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)nc4c3ccc3ccccc34)cc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4)cc32)cc1
InChIInChI=1S/C63H42N4.C58H36N4.C54H34N4/c1-63(2)54-21-11-8-18-47(54)48-32-28-43(37-55(48)63)60-52-34-26-39-14-6-7-17-46(39)61(52)65-62(64-60)40-24-30-45(31-25-40)66-57-23-13-10-20-50(57)53-36-41(29-35-58(53)66)42-27-33-51-49-19-9-12-22-56(49)67(59(51)38-42)44-15-4-3-5-16-44;1-2-15-44(16-3-1)62-52-20-10-8-18-47(52)49-31-27-42(36-55(49)62)41-28-33-54-51(35-41)48-19-9-11-21-53(48)61(54)45-29-24-39(25-30-45)58-59-56(43-23-22-37-12-4-5-14-40(37)34-43)50-32-26-38-13-6-7-17-46(38)57(50)60-58;1-3-14-36(15-4-1)52-46-31-25-35-13-7-8-18-42(35)53(46)56-54(55-52)37-23-28-41(29-24-37)57-49-22-12-10-20-44(49)47-33-38(27-32-50(47)57)39-26-30-45-43-19-9-11-21-48(43)58(51(45)34-39)40-16-5-2-6-17-40/h3-38H,1-2H3;1-36H;1-34H
InChIKeyAASZNHGOTVLXAM-UHFFFAOYSA-N
XLogP45.39
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002382.90
LogP ≤ 545.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline with MolForge

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Related Compounds

4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-(9,9-dimethylfluoren-2-yl)benzo[h]quinazoline;4-[2,7-di(carbazol-9-yl)carbazol-9-yl]-2-naphthalen-2-ylbenzo[h]quinazoline;2-[3-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;4-[4-[2,7-di(carbazol-9-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 159811321
3-(9,9-dimethylfluoren-2-yl)-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;3-(9,9-dimethylfluoren-2-yl)-1-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]phenyl]-3-naphthalen-2-ylbenzo[f]quinazoline;3-naphthalen-2-yl-1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline;1-[3-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
CID 159795673
2-(9,9-dimethylfluoren-3-yl)-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;2-naphthalen-2-yl-4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[h]quinazoline;2-phenyl-4-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159036091
2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402028
6-(9,9-dimethylfluoren-2-yl)-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 145327666
9-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole;9-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-2-yl]carbazole
CID 160549549
6-(9,9-dimethylfluoren-2-yl)-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-naphthalen-2-yl-2-(9-phenylcarbazol-3-yl)-6-triphenylen-2-ylcarbazole;6-phenanthren-9-yl-2-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 161421085
2-(4-bromophenyl)-4-phenylbenzo[h]quinazoline;4-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 159017724
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
2-[4-(9,9-dimethylfluoren-2-yl)-6-[3-(3-phenylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 137402190
4-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-(4-phenylphenyl)benzo[h]quinazoline
CID 121401969
2-[3,5-bis[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(4-phenylphenyl)benzo[h]quinazoline
CID 121401965

Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The IUPAC name of 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline (CID 157055848) is 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline.
What is the SMILES notation for 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The canonical SMILES for 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)ccc65)cc4)nc4c3ccc3ccccc34)cc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc54)cc3)nc3c2ccc2ccccc23)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5nc(-c6ccc7ccccc7c6)c6ccc7ccccc7c6n5)cc4)cc32)cc1.
What is the InChIKey of 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
The InChIKey is AASZNHGOTVLXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C58H36N4.C54H34N4/c1-63(2)54-21-11-8-18-47(54)48-32-28-43(37-55(48)63)60-52-34-26-39-14-6-7-17-46(39)61(52)65-62(64-60)40-24-30-45(31-25-40)66-57-23-13-10-20-50(57)53-36-41(29-35-58(53)66)42-27-33-51-49-19-9-12-22-56(49)67(59(51)38-42)44-15-4-3-5-16-44;1-2-15-44(16-3-1)62-52-20-10-8-18-47(52)49-31-27-42(36-55(49)62)41-28-33-54-51(35-41)48-19-9-11-21-53(48)61(54)45-29-24-39(25-30-45)58-59-56(43-23-22-37-12-4-5-14-40(37)34-43)50-32-26-38-13-6-7-17-46(38)57(50)60-58;1-3-14-36(15-4-1)52-46-31-25-35-13-7-8-18-42(35)53(46)56-54(55-52)37-23-28-41(29-24-37)57-49-22-12-10-20-44(49)47-33-38(27-32-50(47)57)39-26-30-45-43-19-9-11-21-48(43)58(51(45)34-39)40-16-5-2-6-17-40/h3-38H,1-2H3;1-36H;1-34H.
What are the key properties of 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline?
4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline has a molecular weight of 2382.90 g/mol, XLogP of 45.39, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethylfluoren-2-yl)-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-naphthalen-2-yl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-phenyl-2-[4-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline is sourced from PubChem (CID 157055848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).