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

C169H108N12 — CID 159036091

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)cc4)c4ccc5ccccc5c4n3)ccc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc5c4ccc4ccccc45)cc32)cc1
InChIInChI=1S/C63H42N4.C54H34N4.C52H32N4/c1-63(2)53-23-11-8-19-47(53)52-37-42(31-36-54(52)63)62-64-60(51-35-29-39-15-6-7-18-46(39)61(51)65-62)40-27-32-44(33-28-40)66-56-25-13-10-21-50(56)59-45(22-14-26-57(59)66)41-30-34-49-48-20-9-12-24-55(48)67(58(49)38-41)43-16-4-3-5-17-43;1-3-15-37(16-4-1)54-55-52(46-33-28-35-14-7-8-19-42(35)53(46)56-54)36-26-30-40(31-27-36)57-48-24-12-10-21-45(48)51-41(22-13-25-49(51)57)38-29-32-44-43-20-9-11-23-47(43)58(50(44)34-38)39-17-5-2-6-18-39;1-2-16-38(17-3-1)55-45-22-10-8-19-41(45)42-29-28-36(32-48(42)55)39-21-12-24-47-49(39)43-20-9-11-23-46(43)56(47)52-44-30-27-34-14-6-7-18-40(34)50(44)53-51(54-52)37-26-25-33-13-4-5-15-35(33)31-37/h3-38H,1-2H3;1-34H;1-32H
InChIKeyJVLZVDIXQOXKIZ-UHFFFAOYSA-N
MW2306.81 g/mol
LogP43.73
Rot. Bonds14

About 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

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 (PubChem CID 159036091) has the molecular formula C169H108N12 and a molecular weight of 2306.81 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159036091
Molecular FormulaC169H108N12
Molecular Weight2306.81 g/mol
Exact Mass2304.88
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)cc4)c4ccc5ccccc5c4n3)ccc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc5c4ccc4ccccc45)cc32)cc1
InChIInChI=1S/C63H42N4.C54H34N4.C52H32N4/c1-63(2)53-23-11-8-19-47(53)52-37-42(31-36-54(52)63)62-64-60(51-35-29-39-15-6-7-18-46(39)61(51)65-62)40-27-32-44(33-28-40)66-56-25-13-10-21-50(56)59-45(22-14-26-57(59)66)41-30-34-49-48-20-9-12-24-55(48)67(58(49)38-41)43-16-4-3-5-17-43;1-3-15-37(16-4-1)54-55-52(46-33-28-35-14-7-8-19-42(35)53(46)56-54)36-26-30-40(31-27-36)57-48-24-12-10-21-45(48)51-41(22-13-25-49(51)57)38-29-32-44-43-20-9-11-23-47(43)58(50(44)34-38)39-17-5-2-6-18-39;1-2-16-38(17-3-1)55-45-22-10-8-19-41(45)42-29-28-36(32-48(42)55)39-21-12-24-47-49(39)43-20-9-11-23-46(43)56(47)52-44-30-27-34-14-6-7-18-40(34)50(44)53-51(54-52)37-26-25-33-13-4-5-15-35(33)31-37/h3-38H,1-2H3;1-34H;1-32H
InChIKeyJVLZVDIXQOXKIZ-UHFFFAOYSA-N
XLogP43.73
TPSA106.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.81
LogP ≤ 543.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 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 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
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
4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline
CID 121401982
2-[4-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(3-phenylphenyl)benzo[h]quinazoline
CID 121402041
2-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-4-(9,9-dimethylfluoren-3-yl)benzo[h]quinazoline;1-[3,5-bis[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-(3-phenylphenyl)benzo[f]quinazoline
CID 157420787
9,9-dimethyl-N-naphthalen-2-yl-N-[4-[4-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenyl]fluoren-2-amine
CID 118034735
11,11-dimethyl-5-[3-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]indeno[1,2-b]carbazole
CID 164803024
4-[4-(4-tert-butylphenyl)phenyl]-2-[4-[4-(9-phenylcarbazol-4-yl)carbazol-9-yl]phenyl]benzo[h]quinazoline;4-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]-2-[4-(3-methoxyphenyl)phenyl]benzo[h]quinazoline;2-[4-(3-methoxyphenyl)phenyl]-4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzo[h]quinazoline
CID 160841712
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 166563534
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
5-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-[3-[4-[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 170133186
4-(6-fluoranthen-3-yl-9,9-dimethylfluoren-3-yl)-9-phenylcarbazole;2-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;3-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;4-(6-fluoranthen-3-ylnaphthalen-2-yl)-9-phenylcarbazole;2-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;2-(4-fluoranthen-3-ylphenyl)-9-phenylcarbazole;3-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;4-(3-fluoranthen-3-ylphenyl)-9-phenylcarbazole;methane
CID 158170638

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc(-c3nc(-c4ccc(-n5c6ccccc6c6c(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)cccc65)cc4)c4ccc5ccccc5c4n3)ccc21.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5c(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)cccc54)cc3)c3ccc4ccccc4c3n2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc5c4c4ccccc4n5-c4nc(-c5ccc6ccccc6c5)nc5c4ccc4ccccc45)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is JVLZVDIXQOXKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H42N4.C54H34N4.C52H32N4/c1-63(2)53-23-11-8-19-47(53)52-37-42(31-36-54(52)63)62-64-60(51-35-29-39-15-6-7-18-46(39)61(51)65-62)40-27-32-44(33-28-40)66-56-25-13-10-21-50(56)59-45(22-14-26-57(59)66)41-30-34-49-48-20-9-12-24-55(48)67(58(49)38-41)43-16-4-3-5-17-43;1-3-15-37(16-4-1)54-55-52(46-33-28-35-14-7-8-19-42(35)53(46)56-54)36-26-30-40(31-27-36)57-48-24-12-10-21-45(48)51-41(22-13-25-49(51)57)38-29-32-44-43-20-9-11-23-47(43)58(50(44)34-38)39-17-5-2-6-18-39;1-2-16-38(17-3-1)55-45-22-10-8-19-41(45)42-29-28-36(32-48(42)55)39-21-12-24-47-49(39)43-20-9-11-23-46(43)56(47)52-44-30-27-34-14-6-7-18-40(34)50(44)53-51(54-52)37-26-25-33-13-4-5-15-35(33)31-37/h3-38H,1-2H3;1-34H;1-32H.
What are the key properties of 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?
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 has a molecular weight of 2306.81 g/mol, XLogP of 43.73, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159036091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).