7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine

C122H138N4 — CID 134432693

IUPAC7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C(C)(C)C)(C2(C(C)(C)C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C122H138N4/c1-111(2,3)79-39-55-87(56-40-79)123(88-57-41-80(42-58-88)112(4,5)6)95-71-73-101-103(75-95)121(119(25,26)27,105-77-107(97-35-31-33-37-99(97)109(101)105)125(91-63-47-83(48-64-91)115(13,14)15)92-65-49-84(50-66-92)116(16,17)18)122(120(28,29)30)104-76-96(124(89-59-43-81(44-60-89)113(7,8)9)90-61-45-82(46-62-90)114(10,11)12)72-74-102(104)110-100-38-34-32-36-98(100)108(78-106(110)122)126(93-67-51-85(52-68-93)117(19,20)21)94-69-53-86(54-70-94)118(22,23)24/h31-78H,1-30H3
InChIKeySHLDDASOFDSRPJ-UHFFFAOYSA-N
MW1660.47 g/mol
LogP35.58
Rot. Bonds13

About 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine

7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine (PubChem CID 134432693) has the molecular formula C122H138N4 and a molecular weight of 1660.47 g/mol. Its IUPAC name is 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine.

Molecular Properties

Compound Name7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
PubChem CID134432693
Molecular FormulaC122H138N4
Molecular Weight1660.47 g/mol
Exact Mass1659.09
IUPAC Name7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C(C)(C)C)(C2(C(C)(C)C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1
InChIInChI=1S/C122H138N4/c1-111(2,3)79-39-55-87(56-40-79)123(88-57-41-80(42-58-88)112(4,5)6)95-71-73-101-103(75-95)121(119(25,26)27,105-77-107(97-35-31-33-37-99(97)109(101)105)125(91-63-47-83(48-64-91)115(13,14)15)92-65-49-84(50-66-92)116(16,17)18)122(120(28,29)30)104-76-96(124(89-59-43-81(44-60-89)113(7,8)9)90-61-45-82(46-62-90)114(10,11)12)72-74-102(104)110-100-38-34-32-36-98(100)108(78-106(110)122)126(93-67-51-85(52-68-93)117(19,20)21)94-69-53-86(54-70-94)118(22,23)24/h31-78H,1-30H3
InChIKeySHLDDASOFDSRPJ-UHFFFAOYSA-N
XLogP35.58
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001660.47
LogP ≤ 535.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine with MolForge

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Related Compounds

9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-methylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-methylfluorene-2,7-diamine;9-[2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-9-phenylfluoren-9-yl]-2-N,2-N,7-N,7-N-tetrakis(4-tert-butylphenyl)-9-phenylfluorene-2,7-diamine;7-tert-butyl-7-[9-tert-butyl-2,7-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)fluoren-9-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
CID 157362936
7-[5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)-7-methylbenzo[c]fluorene-5,9-diamine;7-[5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)-7-phenylbenzo[c]fluorene-5,9-diamine;7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine
CID 157168031
7-tert-butyl-7-[7-tert-butyl-5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)benzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-methylbenzo[c]fluoren-5-amine;7-[5-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-N,N-bis(4-tert-butylphenyl)-7-phenylbenzo[c]fluoren-5-amine
CID 158882508
5-N,9-N-bis(4-tert-butylphenyl)-5-N,9-N-bis(3-methylphenyl)spiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 167178435
7-[5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)-7-methylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)-7-methylbenzo[c]fluorene-5,9-diamine;7-[5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)-7-phenylbenzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)-7-phenylbenzo[c]fluorene-5,9-diamine;7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-methoxy-N-(4-methoxyphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-methoxyphenyl)benzo[c]fluorene-5,9-diamine
CID 159890340
7,7-dimethyl-5-N,5-N,9-N,9-N-tetrakis(4-phenylphenyl)benzo[c]fluorene-5,9-diamine
CID 162712053
5-N,9-N-bis[3-(3,6-ditert-butylcarbazol-9-yl)phenyl]-7,7-dimethyl-5-N,9-N-diphenylbenzo[c]fluorene-5,9-diamine
CID 126498124
5-N,5-N,9-N,9-N-tetraphenylspiro[benzo[c]fluorene-7,9'-fluorene]-5,9-diamine
CID 59755274
9-[4-(4-tert-butyl-N-naphthalen-2-ylanilino)phenyl]-N-(4-tert-butylphenyl)-N-naphthalen-2-ylspiro[benzo[c]fluorene-7,9'-thioxanthene]-5-amine
CID 118521053
4-N,17-N-bis(4-tert-butylphenyl)-20,20-dimethyl-4-N,17-N-diphenylhexacyclo[11.11.1.02,11.05,10.014,19.021,25]pentacosa-1,3,5,7,9,11,13(25),14(19),15,17,21,23-dodecaene-4,17-diamine
CID 118360263
5-N,9-N-bis(4-tert-butylphenyl)-7,7-diphenyl-5-N,9-N-bis(6-phenyldibenzofuran-4-yl)benzo[c]fluorene-5,9-diamine
CID 90139898
2-N'-(9,9-dimethylfluoren-2-yl)-2-N',5-N,5-N-triphenylspiro[benzo[c]fluorene-7,9'-fluorene]-2',5-diamine
CID 168775359

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?
The IUPAC name of 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine (CID 134432693) is 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine.
What is the SMILES notation for 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?
The canonical SMILES for 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2ccc3c(c2)C(C(C)(C)C)(C2(C(C)(C)C)c4cc(N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5)ccc4-c4c2cc(N(c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)c2ccccc42)c2cc(N(c4ccc(C(C)(C)C)cc4)c4ccc(C(C)(C)C)cc4)c4ccccc4c2-3)cc1.
What is the InChIKey of 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?
The InChIKey is SHLDDASOFDSRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C122H138N4/c1-111(2,3)79-39-55-87(56-40-79)123(88-57-41-80(42-58-88)112(4,5)6)95-71-73-101-103(75-95)121(119(25,26)27,105-77-107(97-35-31-33-37-99(97)109(101)105)125(91-63-47-83(48-64-91)115(13,14)15)92-65-49-84(50-66-92)116(16,17)18)122(120(28,29)30)104-76-96(124(89-59-43-81(44-60-89)113(7,8)9)90-61-45-82(46-62-90)114(10,11)12)72-74-102(104)110-100-38-34-32-36-98(100)108(78-106(110)122)126(93-67-51-85(52-68-93)117(19,20)21)94-69-53-86(54-70-94)118(22,23)24/h31-78H,1-30H3.
What are the key properties of 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine?
7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine has a molecular weight of 1660.47 g/mol, XLogP of 35.58, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-7-[7-tert-butyl-5,9-bis(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzo[c]fluoren-7-yl]-5-N,5-N,9-N,9-N-tetrakis(4-tert-butylphenyl)benzo[c]fluorene-5,9-diamine is sourced from PubChem (CID 134432693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).