CID 172510768

C69H64N5 — CID 172510768

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C69H64N5/c1-45(2)55-27-19-28-56(46(3)4)67(55)70-41-42-71(68-57(47(5)6)29-20-30-58(68)48(7)8)69(70)49-33-35-52(36-34-49)72(53-37-39-65-61(43-53)59-25-15-17-31-63(59)73(65)50-21-11-9-12-22-50)54-38-40-66-62(44-54)60-26-16-18-32-64(60)74(66)51-23-13-10-14-24-51/h9-48H,1-8H3
InChIKeyGTQDHCVABJZBIG-UHFFFAOYSA-N
MW963.31 g/mol
LogP19.18
Rot. Bonds12

About CID 172510768

CID 172510768 (PubChem CID 172510768) has the molecular formula C69H64N5 and a molecular weight of 963.31 g/mol.

Molecular Properties

Compound NameCID 172510768
PubChem CID172510768
Molecular FormulaC69H64N5
Molecular Weight963.31 g/mol
Exact Mass962.52
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C69H64N5/c1-45(2)55-27-19-28-56(46(3)4)67(55)70-41-42-71(68-57(47(5)6)29-20-30-58(68)48(7)8)69(70)49-33-35-52(36-34-49)72(53-37-39-65-61(43-53)59-25-15-17-31-63(59)73(65)50-21-11-9-12-22-50)54-38-40-66-62(44-54)60-26-16-18-32-64(60)74(66)51-23-13-10-14-24-51/h9-48H,1-8H3
InChIKeyGTQDHCVABJZBIG-UHFFFAOYSA-N
XLogP19.18
TPSA19.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500963.31
LogP ≤ 519.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 58651963
N-[9-[4-[4-(4-carbazol-9-ylphenyl)phenyl]phenyl]carbazol-3-yl]-N,9-diphenylcarbazol-3-amine
CID 172537557
N,9-diphenyl-N-[9-[4-[4-[4-[3-(N-(9-phenylcarbazol-3-yl)anilino)carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]carbazol-3-amine
CID 172537472
N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-[4-(N-phenylanilino)phenyl]anilino)phenyl]benzene-1,4-diamine
CID 159618005
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
N-(4-carbazol-9-ylphenyl)-N-phenyl-9-(4-phenylphenyl)carbazol-3-amine
CID 129061469
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(3,4-difluorophenyl)-N-[4-[4-(3,4-difluoro-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844914
1-N,1-N-diphenyl-3-N-(9-phenylcarbazol-3-yl)-3-N-[3-(N-[4-(2-phenylphenyl)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 177275922
2-carbazol-9-yl-9-[4-[4-(2-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]carbazole;N,9-diphenyl-N-[4-[4-(N-(9-phenylcarbazol-2-yl)anilino)phenyl]phenyl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]carbazol-3-amine
CID 157469866
N-phenyl-9-(9-phenylcarbazol-3-yl)-N-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-3-amine
CID 59365518
N,N-diphenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-amine
CID 90168095

Frequently Asked Questions

What is the IUPAC name of CID 172510768?
The IUPAC name of CID 172510768 (CID 172510768) is not available.
What is the SMILES notation for CID 172510768?
The canonical SMILES for CID 172510768 is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[C]1c1ccc(N(c2ccc3c(c2)c2ccccc2n3-c2ccccc2)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of CID 172510768?
The InChIKey is GTQDHCVABJZBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H64N5/c1-45(2)55-27-19-28-56(46(3)4)67(55)70-41-42-71(68-57(47(5)6)29-20-30-58(68)48(7)8)69(70)49-33-35-52(36-34-49)72(53-37-39-65-61(43-53)59-25-15-17-31-63(59)73(65)50-21-11-9-12-22-50)54-38-40-66-62(44-54)60-26-16-18-32-64(60)74(66)51-23-13-10-14-24-51/h9-48H,1-8H3.
What are the key properties of CID 172510768?
CID 172510768 has a molecular weight of 963.31 g/mol, XLogP of 19.18, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172510768 is sourced from PubChem (CID 172510768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).