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

C181H113N13 — CID 158401705

IUPAC9-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)c5ccccc45)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6cc(-n7c8ccccc8c8cc9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9cc87)ccc56)nc5ccccc45)cc32)cc1.c1ccc2c(c1)ccc1ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4)nc4ccccc34)cc12
InChIInChI=1S/C64H39N5.C61H40N4.C56H34N4/c1-2-16-44(17-3-1)67-57-25-10-7-20-50(57)52-33-30-42(39-61(52)67)63-54-22-4-9-24-56(54)65-64(66-63)53-23-14-15-41-35-46(32-34-47(41)53)69-60-28-13-8-21-51(60)55-37-43-36-45(31-29-40(43)38-62(55)69)68-58-26-11-5-18-48(58)49-19-6-12-27-59(49)68;1-61(2)51-22-10-5-16-42(51)43-30-28-38(35-52(43)61)59-49-21-6-11-23-53(49)62-60(63-59)48-31-32-57(44-17-4-3-15-41(44)48)65-56-26-14-9-20-47(56)50-34-39-33-40(29-27-37(39)36-58(50)65)64-54-24-12-7-18-45(54)46-19-8-13-25-55(46)64;1-2-12-43-35(11-1)21-22-36-23-24-39(32-48(36)43)55-47-16-3-7-17-50(47)57-56(58-55)37-25-28-41(29-26-37)59-53-20-10-6-15-46(53)49-33-40-31-42(30-27-38(40)34-54(49)59)60-51-18-8-4-13-44(51)45-14-5-9-19-52(45)60/h1-39H;3-36H,1-2H3;1-34H
InChIKeyGYEJYSHXSCPNMB-UHFFFAOYSA-N
MW2469.99 g/mol
LogP46.95
Rot. Bonds13

About 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

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 (PubChem CID 158401705) has the molecular formula C181H113N13 and a molecular weight of 2469.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID158401705
Molecular FormulaC181H113N13
Molecular Weight2469.99 g/mol
Exact Mass2467.92
IUPAC Name9-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
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)c5ccccc45)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6cc(-n7c8ccccc8c8cc9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9cc87)ccc56)nc5ccccc45)cc32)cc1.c1ccc2c(c1)ccc1ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4)nc4ccccc34)cc12
InChIInChI=1S/C64H39N5.C61H40N4.C56H34N4/c1-2-16-44(17-3-1)67-57-25-10-7-20-50(57)52-33-30-42(39-61(52)67)63-54-22-4-9-24-56(54)65-64(66-63)53-23-14-15-41-35-46(32-34-47(41)53)69-60-28-13-8-21-51(60)55-37-43-36-45(31-29-40(43)38-62(55)69)68-58-26-11-5-18-48(58)49-19-6-12-27-59(49)68;1-61(2)51-22-10-5-16-42(51)43-30-28-38(35-52(43)61)59-49-21-6-11-23-53(49)62-60(63-59)48-31-32-57(44-17-4-3-15-41(44)48)65-56-26-14-9-20-47(56)50-34-39-33-40(29-27-37(39)36-58(50)65)64-54-24-12-7-18-45(54)46-19-8-13-25-55(46)64;1-2-12-43-35(11-1)21-22-36-23-24-39(32-48(36)43)55-47-16-3-7-17-50(47)57-56(58-55)37-25-28-41(29-26-37)59-53-20-10-6-15-46(53)49-33-40-31-42(30-27-38(40)34-54(49)59)60-51-18-8-4-13-44(51)45-14-5-9-19-52(45)60/h1-39H;3-36H,1-2H3;1-34H
InChIKeyGYEJYSHXSCPNMB-UHFFFAOYSA-N
XLogP46.95
TPSA111.85 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002469.99
LogP ≤ 546.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
8-benzo[a]carbazol-11-yl-5-[3-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]phenyl]benzo[b]carbazole
CID 146375702
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 159107131
3-[9-[4-(9,9-dimethylfluoren-2-yl)naphthalen-1-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(7-phenanthren-2-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 158579242
8-benzo[a]carbazol-11-yl-5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-(2-phenanthren-3-ylquinazolin-4-yl)benzo[b]carbazole;8-benzo[a]carbazol-11-yl-5-[2-(9-phenylcarbazol-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 159439696
12-[4-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]naphthalen-1-yl]-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139362236
12-phenyl-16-[4-(4-phenylquinazolin-2-yl)naphthalen-1-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;12-phenyl-16-[6-(4-phenylquinazolin-2-yl)naphthalen-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;12-phenyl-16-[4-(4-phenylquinazolin-2-yl)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 160897005
1-(9,9-dimethylfluoren-2-yl)-5-[4-(4-naphthalen-1-ylquinazolin-2-yl)naphthalen-1-yl]benzo[b]carbazole
CID 146542508
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
3-carbazol-9-yl-5-[4-[2-(9,9-dimethylfluoren-1-yl)quinazolin-4-yl]phenyl]benzo[b]carbazole
CID 146375384
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)c5ccccc45)nc4ccccc34)cc21.c1ccc(-n2c3ccccc3c3ccc(-c4nc(-c5cccc6cc(-n7c8ccccc8c8cc9cc(-n%10c%11ccccc%11c%11ccccc%11%10)ccc9cc87)ccc56)nc5ccccc45)cc32)cc1.c1ccc2c(c1)ccc1ccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7cc(-n8c9ccccc9c9ccccc98)ccc7cc65)cc4)nc4ccccc34)cc12.
What is the InChIKey of 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?
The InChIKey is GYEJYSHXSCPNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H39N5.C61H40N4.C56H34N4/c1-2-16-44(17-3-1)67-57-25-10-7-20-50(57)52-33-30-42(39-61(52)67)63-54-22-4-9-24-56(54)65-64(66-63)53-23-14-15-41-35-46(32-34-47(41)53)69-60-28-13-8-21-51(60)55-37-43-36-45(31-29-40(43)38-62(55)69)68-58-26-11-5-18-48(58)49-19-6-12-27-59(49)68;1-61(2)51-22-10-5-16-42(51)43-30-28-38(35-52(43)61)59-49-21-6-11-23-53(49)62-60(63-59)48-31-32-57(44-17-4-3-15-41(44)48)65-56-26-14-9-20-47(56)50-34-39-33-40(29-27-37(39)36-58(50)65)64-54-24-12-7-18-45(54)46-19-8-13-25-55(46)64;1-2-12-43-35(11-1)21-22-36-23-24-39(32-48(36)43)55-47-16-3-7-17-50(47)57-56(58-55)37-25-28-41(29-26-37)59-53-20-10-6-15-46(53)49-33-40-31-42(30-27-38(40)34-54(49)59)60-51-18-8-4-13-44(51)45-14-5-9-19-52(45)60/h1-39H;3-36H,1-2H3;1-34H.
What are the key properties of 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?
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 has a molecular weight of 2469.99 g/mol, XLogP of 46.95, 13 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158401705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).