1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole

C162H123N3 — CID 159237487

IUPAC1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)c4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/3C54H41N/c1-53(2)47-25-11-8-18-39(47)42-22-14-21-38(50(42)53)36-32-45-41-20-10-13-27-49(41)55(37-30-28-35(29-31-37)34-16-6-5-7-17-34)52(45)46(33-36)44-24-15-23-43-40-19-9-12-26-48(40)54(3,4)51(43)44;1-53(2)46-19-11-8-16-40(46)44-32-36(24-30-48(44)53)39-28-29-43-42-18-10-13-21-50(42)55(38-26-22-35(23-27-38)34-14-6-5-7-15-34)52(43)51(39)37-25-31-49-45(33-37)41-17-9-12-20-47(41)54(49,3)4;1-53(2)47-16-10-8-14-41(47)43-30-36(20-26-48(43)53)37-21-27-49-44(31-37)45-32-38(22-28-50(45)54(49,3)4)39-23-29-52-46(33-39)42-15-9-11-17-51(42)55(52)40-24-18-35(19-25-40)34-12-6-5-7-13-34/h3*5-33H,1-4H3
InChIKeyKTQYWPQEQAGCGR-UHFFFAOYSA-N
MW2111.79 g/mol
LogP43.19
Rot. Bonds12

About 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole

1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 159237487) has the molecular formula C162H123N3 and a molecular weight of 2111.79 g/mol. Its IUPAC name is 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID159237487
Molecular FormulaC162H123N3
Molecular Weight2111.79 g/mol
Exact Mass2109.97
IUPAC Name1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)c4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c21
InChIInChI=1S/3C54H41N/c1-53(2)47-25-11-8-18-39(47)42-22-14-21-38(50(42)53)36-32-45-41-20-10-13-27-49(41)55(37-30-28-35(29-31-37)34-16-6-5-7-17-34)52(45)46(33-36)44-24-15-23-43-40-19-9-12-26-48(40)54(3,4)51(43)44;1-53(2)46-19-11-8-16-40(46)44-32-36(24-30-48(44)53)39-28-29-43-42-18-10-13-21-50(42)55(38-26-22-35(23-27-38)34-14-6-5-7-15-34)52(43)51(39)37-25-31-49-45(33-37)41-17-9-12-20-47(41)54(49,3)4;1-53(2)47-16-10-8-14-41(47)43-30-36(20-26-48(43)53)37-21-27-49-44(31-37)45-32-38(22-28-50(45)54(49,3)4)39-23-29-52-46(33-39)42-15-9-11-17-51(42)55(52)40-24-18-35(19-25-40)34-12-6-5-7-13-34/h3*5-33H,1-4H3
InChIKeyKTQYWPQEQAGCGR-UHFFFAOYSA-N
XLogP43.19
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms165
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002111.79
LogP ≤ 543.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole with MolForge

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Related Compounds

12-[4-(9,9-dimethylfluoren-3-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
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8-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-12,12-dimethyl-11-phenylindeno[2,1-a]carbazole
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12,12-dimethyl-8,11-diphenylindeno[2,1-a]carbazole
CID 121287062
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
6-(9,9-dimethylfluoren-3-yl)-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 145327523
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
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12,12-dimethyl-8-(9-naphthalen-2-ylcarbazol-3-yl)-11-phenylindeno[2,1-a]carbazole
CID 121343398
3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-1-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163519733
5-[3-[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;7,7-dimethyl-5-[3-(9-phenylcarbazol-3-yl)phenyl]indeno[2,1-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[2,3-a]carbazole
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N-(4-carbazol-9-ylphenyl)-N-[4-(12,12-dimethylindeno[2,1-a]carbazol-11-yl)phenyl]-4-phenylaniline
CID 66585182
4-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-1-amine;9,9-dimethyl-4-(9-phenylcarbazol-3-yl)-N,N-bis(4-phenylphenyl)fluoren-1-amine
CID 159379857

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole (CID 159237487) is 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole is CC1(C)c2ccccc2-c2cc(-c3ccc4c(c3)-c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccc(-c6ccccc6)cc5)ccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3-c3ccc4c(c3)-c3ccccc3C4(C)C)ccc21.CC1(C)c2ccccc2-c2cccc(-c3cc(-c4cccc5c4C(C)(C)c4ccccc4-5)c4c(c3)c3ccccc3n4-c3ccc(-c4ccccc4)cc3)c21.
What is the InChIKey of 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is KTQYWPQEQAGCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C54H41N/c1-53(2)47-25-11-8-18-39(47)42-22-14-21-38(50(42)53)36-32-45-41-20-10-13-27-49(41)55(37-30-28-35(29-31-37)34-16-6-5-7-17-34)52(45)46(33-36)44-24-15-23-43-40-19-9-12-26-48(40)54(3,4)51(43)44;1-53(2)46-19-11-8-16-40(46)44-32-36(24-30-48(44)53)39-28-29-43-42-18-10-13-21-50(42)55(38-26-22-35(23-27-38)34-14-6-5-7-15-34)52(43)51(39)37-25-31-49-45(33-37)41-17-9-12-20-47(41)54(49,3)4;1-53(2)47-16-10-8-14-41(47)43-30-36(20-26-48(43)53)37-21-27-49-44(31-37)45-32-38(22-28-50(45)54(49,3)4)39-23-29-52-46(33-39)42-15-9-11-17-51(42)55(52)40-24-18-35(19-25-40)34-12-6-5-7-13-34/h3*5-33H,1-4H3.
What are the key properties of 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole?
1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 2111.79 g/mol, XLogP of 43.19, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(9,9-dimethylfluoren-3-yl)-9-(4-phenylphenyl)carbazole;1,3-bis(9,9-dimethylfluoren-1-yl)-9-(4-phenylphenyl)carbazole;3-[6-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 159237487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).