CID 158188643

C260H168N8 — CID 158188643

IUPAC—
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C68H44N2.2C62H40N2/c1-2-20-45(21-3-1)46-40-42-47(43-41-46)69(48-22-18-23-49(44-48)70-63-37-16-8-28-54(63)55-29-9-17-38-64(55)70)65-39-19-36-62-66(65)68(58-32-12-6-26-52(58)53-27-7-13-33-59(53)68)61-35-15-14-34-60(61)67(62)56-30-10-4-24-50(56)51-25-5-11-31-57(51)67;1-2-19-45(20-3-1)46-37-39-47(40-38-46)69(48-41-43-49(44-42-48)70-63-34-16-8-25-54(63)55-26-9-17-35-64(55)70)65-36-18-33-62-66(65)68(58-29-12-6-23-52(58)53-24-7-13-30-59(53)68)61-32-15-14-31-60(61)67(62)56-27-10-4-21-50(56)51-22-5-11-28-57(51)67;1-2-20-41(21-3-1)63(42-22-18-23-43(40-42)64-57-37-16-8-28-48(57)49-29-9-17-38-58(49)64)59-39-19-36-56-60(59)62(52-32-12-6-26-46(52)47-27-7-13-33-53(47)62)55-35-15-14-34-54(55)61(56)50-30-10-4-24-44(50)45-25-5-11-31-51(45)61;1-2-19-41(20-3-1)63(42-37-39-43(40-38-42)64-57-34-16-8-25-48(57)49-26-9-17-35-58(49)64)59-36-18-33-56-60(59)62(52-29-12-6-23-46(52)47-24-7-13-30-53(47)62)55-32-15-14-31-54(55)61(56)50-27-10-4-21-44(50)45-22-5-11-28-51(45)61/h2*1-44H;2*1-40H
InChIKeyFZLTVECBJVUUGY-UHFFFAOYSA-N
MW3404.26 g/mol
LogP64.51
Rot. Bonds18

About CID 158188643

CID 158188643 (PubChem CID 158188643) has the molecular formula C260H168N8 and a molecular weight of 3404.26 g/mol.

Molecular Properties

Compound NameCID 158188643
PubChem CID158188643
Molecular FormulaC260H168N8
Molecular Weight3404.26 g/mol
Exact Mass3401.34
IUPAC Name—
SMILESc1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/2C68H44N2.2C62H40N2/c1-2-20-45(21-3-1)46-40-42-47(43-41-46)69(48-22-18-23-49(44-48)70-63-37-16-8-28-54(63)55-29-9-17-38-64(55)70)65-39-19-36-62-66(65)68(58-32-12-6-26-52(58)53-27-7-13-33-59(53)68)61-35-15-14-34-60(61)67(62)56-30-10-4-24-50(56)51-25-5-11-31-57(51)67;1-2-19-45(20-3-1)46-37-39-47(40-38-46)69(48-41-43-49(44-42-48)70-63-34-16-8-25-54(63)55-26-9-17-35-64(55)70)65-36-18-33-62-66(65)68(58-29-12-6-23-52(58)53-24-7-13-30-59(53)68)61-32-15-14-31-60(61)67(62)56-27-10-4-21-50(56)51-22-5-11-28-57(51)67;1-2-20-41(21-3-1)63(42-22-18-23-43(40-42)64-57-37-16-8-28-48(57)49-29-9-17-38-58(49)64)59-39-19-36-56-60(59)62(52-32-12-6-26-46(52)47-27-7-13-33-53(47)62)55-35-15-14-34-54(55)61(56)50-30-10-4-24-44(50)45-25-5-11-31-51(45)61;1-2-19-41(20-3-1)63(42-37-39-43(40-38-42)64-57-34-16-8-25-48(57)49-26-9-17-35-58(49)64)59-36-18-33-56-60(59)62(52-29-12-6-23-46(52)47-24-7-13-30-53(47)62)55-32-15-14-31-54(55)61(56)50-27-10-4-21-44(50)45-22-5-11-28-51(45)61/h2*1-44H;2*1-40H
InChIKeyFZLTVECBJVUUGY-UHFFFAOYSA-N
XLogP64.51
TPSA32.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003404.26
LogP ≤ 564.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

CID 134451097
CID 134451097
3-carbazol-9-yl-N-[4-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline;N-(4-carbazol-9-ylphenyl)-4-(3,5-diphenylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]aniline
CID 160587851
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-[4-[4-(3-phenylcarbazol-9-yl)phenyl]phenyl]-9,9'-spirobi[fluorene]-1-amine
CID 121358664
CID 134451141
CID 134451141
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-phenyl-N-[4-[9-(9-phenylcarbazol-2-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 163813386
N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[2-(3-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 155138419
1-N',3-N-diphenyl-1-N'-(9-phenylcarbazol-2-yl)-3-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-1',3-diamine
CID 164838009
N-(3-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)-N,9-diphenylcarbazol-2-amine
CID 156664793
N-(3-carbazol-9-ylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168788782

Frequently Asked Questions

What is the IUPAC name of CID 158188643?
The IUPAC name of CID 158188643 (CID 158188643) is not available.
What is the SMILES notation for CID 158188643?
The canonical SMILES for CID 158188643 is c1ccc(-c2ccc(N(c3ccc(-n4c5ccccc5c5ccccc54)cc3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(-c2ccc(N(c3cccc(-n4c5ccccc5c5ccccc54)c3)c3cccc4c3C3(c5ccccc5-c5ccccc53)c3ccccc3C43c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.c1ccc(N(c2cccc(-n3c4ccccc4c4ccccc43)c2)c2cccc3c2C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 158188643?
The InChIKey is FZLTVECBJVUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C68H44N2.2C62H40N2/c1-2-20-45(21-3-1)46-40-42-47(43-41-46)69(48-22-18-23-49(44-48)70-63-37-16-8-28-54(63)55-29-9-17-38-64(55)70)65-39-19-36-62-66(65)68(58-32-12-6-26-52(58)53-27-7-13-33-59(53)68)61-35-15-14-34-60(61)67(62)56-30-10-4-24-50(56)51-25-5-11-31-57(51)67;1-2-19-45(20-3-1)46-37-39-47(40-38-46)69(48-41-43-49(44-42-48)70-63-34-16-8-25-54(63)55-26-9-17-35-64(55)70)65-36-18-33-62-66(65)68(58-29-12-6-23-52(58)53-24-7-13-30-59(53)68)61-32-15-14-31-60(61)67(62)56-27-10-4-21-50(56)51-22-5-11-28-57(51)67;1-2-20-41(21-3-1)63(42-22-18-23-43(40-42)64-57-37-16-8-28-48(57)49-29-9-17-38-58(49)64)59-39-19-36-56-60(59)62(52-32-12-6-26-46(52)47-27-7-13-33-53(47)62)55-35-15-14-34-54(55)61(56)50-30-10-4-24-44(50)45-25-5-11-31-51(45)61;1-2-19-41(20-3-1)63(42-37-39-43(40-38-42)64-57-34-16-8-25-48(57)49-26-9-17-35-58(49)64)59-36-18-33-56-60(59)62(52-29-12-6-23-46(52)47-24-7-13-30-53(47)62)55-32-15-14-31-54(55)61(56)50-27-10-4-21-44(50)45-22-5-11-28-51(45)61/h2*1-44H;2*1-40H.
What are the key properties of CID 158188643?
CID 158188643 has a molecular weight of 3404.26 g/mol, XLogP of 64.51, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158188643 is sourced from PubChem (CID 158188643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).