11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole

C155H97N13 — CID 159901232

IUPAC11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)c7ccccc7cc65)nc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4nc(-c5ccc6ccc7ccccc7c6c5)c5ccccc5n4)c3cc2c1
InChIInChI=1S/C54H33N5.C51H34N4.C50H30N4/c1-2-17-36(18-3-1)57-45-26-12-7-22-40(45)41-31-30-35(33-49(41)57)52-42-23-6-11-25-44(42)55-54(56-52)59-48-29-15-10-24-43(48)51-50(59)32-34-16-4-5-19-37(34)53(51)58-46-27-13-8-20-38(46)39-21-9-14-28-47(39)58;1-51(2)40-22-10-5-17-34(40)35-28-27-32(29-41(35)51)48-38-20-6-11-23-42(38)52-50(53-48)55-45-26-14-9-21-39(45)47-46(55)30-31-15-3-4-16-33(31)49(47)54-43-24-12-7-18-36(43)37-19-8-13-25-44(37)54;1-3-15-35-31(13-1)25-26-32-27-28-34(29-41(32)35)48-39-19-5-9-21-42(39)51-50(52-48)54-45-24-12-8-20-40(45)47-46(54)30-33-14-2-4-16-36(33)49(47)53-43-22-10-6-17-37(43)38-18-7-11-23-44(38)53/h1-33H;3-30H,1-2H3;1-30H
InChIKeyNVZFCWVXXLNKNL-UHFFFAOYSA-N
MW2141.57 g/mol
LogP39.64
Rot. Bonds10

About 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole

11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole (PubChem CID 159901232) has the molecular formula C155H97N13 and a molecular weight of 2141.57 g/mol. Its IUPAC name is 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
PubChem CID159901232
Molecular FormulaC155H97N13
Molecular Weight2141.57 g/mol
Exact Mass2139.80
IUPAC Name11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)c7ccccc7cc65)nc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4nc(-c5ccc6ccc7ccccc7c6c5)c5ccccc5n4)c3cc2c1
InChIInChI=1S/C54H33N5.C51H34N4.C50H30N4/c1-2-17-36(18-3-1)57-45-26-12-7-22-40(45)41-31-30-35(33-49(41)57)52-42-23-6-11-25-44(42)55-54(56-52)59-48-29-15-10-24-43(48)51-50(59)32-34-16-4-5-19-37(34)53(51)58-46-27-13-8-20-38(46)39-21-9-14-28-47(39)58;1-51(2)40-22-10-5-17-34(40)35-28-27-32(29-41(35)51)48-38-20-6-11-23-42(38)52-50(53-48)55-45-26-14-9-21-39(45)47-46(55)30-31-15-3-4-16-33(31)49(47)54-43-24-12-7-18-36(43)37-19-8-13-25-44(37)54;1-3-15-35-31(13-1)25-26-32-27-28-34(29-41(32)35)48-39-19-5-9-21-42(39)51-50(52-48)54-45-24-12-8-20-40(45)47-46(54)30-33-14-2-4-16-36(33)49(47)53-43-22-10-6-17-37(43)38-18-7-11-23-44(38)53/h1-33H;3-30H,1-2H3;1-30H
InChIKeyNVZFCWVXXLNKNL-UHFFFAOYSA-N
XLogP39.64
TPSA111.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002141.57
LogP ≤ 539.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
2-carbazol-9-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;2-carbazol-9-yl-7-quinazolin-2-ylbenzo[c]carbazole;7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-2-yl)benzo[c]carbazole
CID 158731806
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 129312343
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
3,6-bis(9-phenylcarbazol-3-yl)-9-[4-phenyl-2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-6-yl]carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]quinazolin-2-yl]carbazole
CID 158717562
9-carbazol-9-yl-5-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]benzo[b]carbazole;9-carbazol-9-yl-5-[4-(4-phenanthren-3-ylquinazolin-2-yl)phenyl]benzo[b]carbazole;9-carbazol-9-yl-5-[5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]naphthalen-2-yl]benzo[b]carbazole
CID 158401705
28,28-dimethyl-32-(4-phenanthren-3-ylquinazolin-2-yl)-32-azaoctacyclo[16.14.0.03,16.04,9.010,15.019,31.021,29.022,27]dotriaconta-1(18),2,4,6,8,10,12,14,16,19,21(29),22,24,26,30-pentadecaene
CID 122527954
7,7-dimethyl-2-[3-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylquinazolin-2-yl)indeno[2,1-b]carbazole
CID 118517262
2-[2-(6-benzo[b]carbazol-5-ylnaphthalen-2-yl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;3-[2-(4-benzo[b]carbazol-5-ylphenyl)quinazolin-4-yl]-7-phenylbenzo[c]carbazole;5-[3-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]naphthalen-1-yl]benzo[b]carbazole
CID 160512960
7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
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
10-benzo[b]carbazol-5-yl-7-(4-dibenzofuran-3-ylquinazolin-2-yl)benzo[c]carbazole;10-benzo[b]carbazol-5-yl-7-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[c]carbazole;10-benzo[c]carbazol-7-yl-7-[4-(9,9-dimethylfluoren-3-yl)quinazolin-2-yl]benzo[c]carbazole
CID 163897076

Frequently Asked Questions

What is the IUPAC name of 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The IUPAC name of 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole (CID 159901232) is 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The canonical SMILES for 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2ccc(-c3nc(-n4c5ccccc5c5c(-n6c7ccccc7c7ccccc76)c6ccccc6cc54)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-n5c6ccccc6c6c(-n7c8ccccc8c8ccccc87)c7ccccc7cc65)nc5ccccc45)cc32)cc1.c1ccc2c(-n3c4ccccc4c4ccccc43)c3c4ccccc4n(-c4nc(-c5ccc6ccc7ccccc7c6c5)c5ccccc5n4)c3cc2c1.
What is the InChIKey of 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
The InChIKey is NVZFCWVXXLNKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5.C51H34N4.C50H30N4/c1-2-17-36(18-3-1)57-45-26-12-7-22-40(45)41-31-30-35(33-49(41)57)52-42-23-6-11-25-44(42)55-54(56-52)59-48-29-15-10-24-43(48)51-50(59)32-34-16-4-5-19-37(34)53(51)58-46-27-13-8-20-38(46)39-21-9-14-28-47(39)58;1-51(2)40-22-10-5-17-34(40)35-28-27-32(29-41(35)51)48-38-20-6-11-23-42(38)52-50(53-48)55-45-26-14-9-21-39(45)47-46(55)30-31-15-3-4-16-33(31)49(47)54-43-24-12-7-18-36(43)37-19-8-13-25-44(37)54;1-3-15-35-31(13-1)25-26-32-27-28-34(29-41(32)35)48-39-19-5-9-21-42(39)51-50(52-48)54-45-24-12-8-20-40(45)47-46(54)30-33-14-2-4-16-36(33)49(47)53-43-22-10-6-17-37(43)38-18-7-11-23-44(38)53/h1-33H;3-30H,1-2H3;1-30H.
What are the key properties of 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole?
11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole has a molecular weight of 2141.57 g/mol, XLogP of 39.64, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 11-carbazol-9-yl-5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]benzo[b]carbazole;11-carbazol-9-yl-5-(4-phenanthren-3-ylquinazolin-2-yl)benzo[b]carbazole;11-carbazol-9-yl-5-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 159901232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).