3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole

C196H124N8 — CID 159220634

IUPAC3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)cc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1
InChIInChI=1S/C66H42N2.2C65H41N3/c1-3-12-41(13-4-1)65-54-20-8-7-18-52(54)56-36-45(27-32-55(56)65)46-28-33-60-58(38-46)59-39-47(48-30-35-63-57(37-48)53-19-9-10-21-62(53)68(63)50-16-5-2-6-17-50)29-34-61(59)67(60)40-49-25-24-44-23-22-42-14-11-15-43-26-31-51(49)66(44)64(42)43;1-3-14-49(15-4-1)67-60-20-9-7-18-52(60)54-32-27-46(38-62(54)67)44-29-34-58-56(36-44)57-37-45(47-28-33-55-53-19-8-10-21-61(53)68(63(55)39-47)50-16-5-2-6-17-50)30-35-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42;1-3-14-49(15-4-1)67-61-21-10-8-19-53(61)55-36-45(30-35-62(55)67)44-28-33-58-56(37-44)57-38-46(47-27-32-54-52-18-7-9-20-60(52)68(63(54)39-47)50-16-5-2-6-17-50)29-34-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42/h1-39,65H,40H2;2*1-39H,40H2
InChIKeyKRQDMZKWSGHVGM-UHFFFAOYSA-N
MW2591.20 g/mol
LogP51.87
Rot. Bonds18

About 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole

3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole (PubChem CID 159220634) has the molecular formula C196H124N8 and a molecular weight of 2591.20 g/mol. Its IUPAC name is 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole.

Molecular Properties

Compound Name3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole
PubChem CID159220634
Molecular FormulaC196H124N8
Molecular Weight2591.20 g/mol
Exact Mass2588.99
IUPAC Name3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)cc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1
InChIInChI=1S/C66H42N2.2C65H41N3/c1-3-12-41(13-4-1)65-54-20-8-7-18-52(54)56-36-45(27-32-55(56)65)46-28-33-60-58(38-46)59-39-47(48-30-35-63-57(37-48)53-19-9-10-21-62(53)68(63)50-16-5-2-6-17-50)29-34-61(59)67(60)40-49-25-24-44-23-22-42-14-11-15-43-26-31-51(49)66(44)64(42)43;1-3-14-49(15-4-1)67-60-20-9-7-18-52(60)54-32-27-46(38-62(54)67)44-29-34-58-56(36-44)57-37-45(47-28-33-55-53-19-8-10-21-61(53)68(63(55)39-47)50-16-5-2-6-17-50)30-35-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42;1-3-14-49(15-4-1)67-61-21-10-8-19-53(61)55-36-45(30-35-62(55)67)44-28-33-58-56(37-44)57-38-46(47-27-32-54-52-18-7-9-20-60(52)68(63(54)39-47)50-16-5-2-6-17-50)29-34-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42/h1-39,65H,40H2;2*1-39H,40H2
InChIKeyKRQDMZKWSGHVGM-UHFFFAOYSA-N
XLogP51.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms204
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002591.20
LogP ≤ 551.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole with MolForge

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Related Compounds

3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
5-naphthalen-2-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-2-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-2-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 159195289
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
1-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-3-[4-[3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)carbazol-9-yl]phenyl]benzo[f]quinazoline
CID 126632834
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
5-[4-(9H-fluoren-9-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 166002881
5-naphthalen-1-yl-11-phenyl-2-(9-phenylcarbazol-3-yl)-11H-indeno[1,2-b]carbazole;9-naphthalen-1-yl-14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;5-naphthalen-1-yl-7-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-7H-indeno[2,1-b]carbazole
CID 161072223
11-methyl-8-[9-phenyl-6-(9-phenyl-9H-fluoren-2-yl)carbazol-3-yl]benzo[a]carbazole
CID 126630413
6-(9-phenylcarbazol-3-yl)-1-(9-phenyl-9H-fluoren-3-yl)xanthen-9-one
CID 135232595
9-phenyl-3-[9-[4-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-6-(9-phenyl-9H-fluoren-3-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377397

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole?
The IUPAC name of 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole (CID 159220634) is 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole.
What is the SMILES notation for 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole?
The canonical SMILES for 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)cc32)cc1.c1ccc(C2c3ccccc3-c3cc(-c4ccc5c(c4)c4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4n5Cc4ccc5ccc6cccc7ccc4c5c67)ccc32)cc1.
What is the InChIKey of 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole?
The InChIKey is KRQDMZKWSGHVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H42N2.2C65H41N3/c1-3-12-41(13-4-1)65-54-20-8-7-18-52(54)56-36-45(27-32-55(56)65)46-28-33-60-58(38-46)59-39-47(48-30-35-63-57(37-48)53-19-9-10-21-62(53)68(63)50-16-5-2-6-17-50)29-34-61(59)67(60)40-49-25-24-44-23-22-42-14-11-15-43-26-31-51(49)66(44)64(42)43;1-3-14-49(15-4-1)67-60-20-9-7-18-52(60)54-32-27-46(38-62(54)67)44-29-34-58-56(36-44)57-37-45(47-28-33-55-53-19-8-10-21-61(53)68(63(55)39-47)50-16-5-2-6-17-50)30-35-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42;1-3-14-49(15-4-1)67-61-21-10-8-19-53(61)55-36-45(30-35-62(55)67)44-28-33-58-56(37-44)57-38-46(47-27-32-54-52-18-7-9-20-60(52)68(63(54)39-47)50-16-5-2-6-17-50)29-34-59(57)66(58)40-48-25-24-43-23-22-41-12-11-13-42-26-31-51(48)65(43)64(41)42/h1-39,65H,40H2;2*1-39H,40H2.
What are the key properties of 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole?
3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole has a molecular weight of 2591.20 g/mol, XLogP of 51.87, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(9-phenylcarbazol-2-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-2-yl)-6-(9-phenylcarbazol-3-yl)-9-(pyren-1-ylmethyl)carbazole;3-(9-phenylcarbazol-3-yl)-6-(9-phenyl-9H-fluoren-3-yl)-9-(pyren-1-ylmethyl)carbazole is sourced from PubChem (CID 159220634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).