CID 158608032

C142H88N4 — CID 158608032

IUPAC—
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4-c4c(-n5c6ccccc6c6ccccc65)cccc43)c3ccccc32)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6c(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)cccc65)c5ccccc54)c3c2)cc1
InChIInChI=1S/C74H46N2.C68H42N2/c1-3-21-47(22-4-1)49-41-43-53-51-25-9-17-37-65(51)75(69(53)45-49)67-39-19-35-63-71(67)55-27-7-11-29-57(55)73(63)59-31-13-15-33-61(59)74(62-34-16-14-32-60(62)73)58-30-12-8-28-56(58)72-64(74)36-20-40-68(72)76-66-38-18-10-26-52(66)54-44-42-50(46-70(54)76)48-23-5-2-6-24-48;1-2-20-43(21-3-1)44-40-41-62-50(42-44)47-24-8-17-37-61(47)70(62)64-39-19-34-58-66(64)49-26-5-10-28-52(49)68(58)55-31-13-11-29-53(55)67(54-30-12-14-32-56(54)68)51-27-9-4-25-48(51)65-57(67)33-18-38-63(65)69-59-35-15-6-22-45(59)46-23-7-16-36-60(46)69/h1-46H;1-42H
InChIKeyHWMCCXSWRXZFOM-UHFFFAOYSA-N
MW1850.29 g/mol
LogP34.84
Rot. Bonds7

About CID 158608032

CID 158608032 (PubChem CID 158608032) has the molecular formula C142H88N4 and a molecular weight of 1850.29 g/mol.

Molecular Properties

Compound NameCID 158608032
PubChem CID158608032
Molecular FormulaC142H88N4
Molecular Weight1850.29 g/mol
Exact Mass1848.70
IUPAC Name—
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4-c4c(-n5c6ccccc6c6ccccc65)cccc43)c3ccccc32)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6c(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)cccc65)c5ccccc54)c3c2)cc1
InChIInChI=1S/C74H46N2.C68H42N2/c1-3-21-47(22-4-1)49-41-43-53-51-25-9-17-37-65(51)75(69(53)45-49)67-39-19-35-63-71(67)55-27-7-11-29-57(55)73(63)59-31-13-15-33-61(59)74(62-34-16-14-32-60(62)73)58-30-12-8-28-56(58)72-64(74)36-20-40-68(72)76-66-38-18-10-26-52(66)54-44-42-50(46-70(54)76)48-23-5-2-6-24-48;1-2-20-43(21-3-1)44-40-41-62-50(42-44)47-24-8-17-37-61(47)70(62)64-39-19-34-58-66(64)49-26-5-10-28-52(49)68(58)55-31-13-11-29-53(55)67(54-30-12-14-32-56(54)68)51-27-9-4-25-48(51)65-57(67)33-18-38-63(65)69-59-35-15-6-22-45(59)46-23-7-16-36-60(46)69/h1-46H;1-42H
InChIKeyHWMCCXSWRXZFOM-UHFFFAOYSA-N
XLogP34.84
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001850.29
LogP ≤ 534.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 126538623
9-(2'-phenyl-9,9'-spirobi[fluorene]-4-yl)carbazole
CID 129258967
CID 118153752
CID 118153752
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118349357
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 118349359
N-(4-phenylphenyl)-N-[4-[6-phenyl-9-(9,9'-spirobi[fluorene]-4-yl)carbazol-3-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 142391304
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
2-[4-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]phenyl]-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118265642
3-[9-(9,9-diphenylfluoren-4-yl)carbazol-2-yl]-N-phenyl-N-[4-(2-phenylphenyl)phenyl]aniline
CID 118349360
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[9-(2-phenylphenyl)fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590608

Frequently Asked Questions

What is the IUPAC name of CID 158608032?
The IUPAC name of CID 158608032 (CID 158608032) is not available.
What is the SMILES notation for CID 158608032?
The canonical SMILES for CID 158608032 is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cccc3c2-c2ccccc2C32c3ccccc3C3(c4ccccc4-c4c(-n5c6ccccc6c6ccccc65)cccc43)c3ccccc32)cc1.c1ccc(-c2ccc3c4ccccc4n(-c4cccc5c4-c4ccccc4C54c5ccccc5C5(c6ccccc6-c6c(-n7c8ccccc8c8ccc(-c9ccccc9)cc87)cccc65)c5ccccc54)c3c2)cc1.
What is the InChIKey of CID 158608032?
The InChIKey is HWMCCXSWRXZFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H46N2.C68H42N2/c1-3-21-47(22-4-1)49-41-43-53-51-25-9-17-37-65(51)75(69(53)45-49)67-39-19-35-63-71(67)55-27-7-11-29-57(55)73(63)59-31-13-15-33-61(59)74(62-34-16-14-32-60(62)73)58-30-12-8-28-56(58)72-64(74)36-20-40-68(72)76-66-38-18-10-26-52(66)54-44-42-50(46-70(54)76)48-23-5-2-6-24-48;1-2-20-43(21-3-1)44-40-41-62-50(42-44)47-24-8-17-37-61(47)70(62)64-39-19-34-58-66(64)49-26-5-10-28-52(49)68(58)55-31-13-11-29-53(55)67(54-30-12-14-32-56(54)68)51-27-9-4-25-48(51)65-57(67)33-18-38-63(65)69-59-35-15-6-22-45(59)46-23-7-16-36-60(46)69/h1-46H;1-42H.
What are the key properties of CID 158608032?
CID 158608032 has a molecular weight of 1850.29 g/mol, XLogP of 34.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158608032 is sourced from PubChem (CID 158608032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).