CID 121385110

C62H39N — CID 121385110

IUPAC—
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H39N/c1-7-27-51-45(21-1)46-22-2-8-28-52(46)61(51)55-31-11-12-32-56(55)62(53-29-9-3-23-47(53)48-24-4-10-30-54(48)62)58-39-43(35-36-57(58)61)41-18-15-17-40(37-41)42-19-16-20-44(38-42)63-59-33-13-5-25-49(59)50-26-6-14-34-60(50)63/h1-39H
InChIKeyTWIZCVVMFWBILM-UHFFFAOYSA-N
MW798.00 g/mol
LogP15.16
Rot. Bonds3

About CID 121385110

CID 121385110 (PubChem CID 121385110) has the molecular formula C62H39N and a molecular weight of 798.00 g/mol.

Molecular Properties

Compound NameCID 121385110
PubChem CID121385110
Molecular FormulaC62H39N
Molecular Weight798.00 g/mol
Exact Mass797.31
IUPAC Name—
SMILESc1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C62H39N/c1-7-27-51-45(21-1)46-22-2-8-28-52(46)61(51)55-31-11-12-32-56(55)62(53-29-9-3-23-47(53)48-24-4-10-30-54(48)62)58-39-43(35-36-57(58)61)41-18-15-17-40(37-41)42-19-16-20-44(38-42)63-59-33-13-5-25-49(59)50-26-6-14-34-60(50)63/h1-39H
InChIKeyTWIZCVVMFWBILM-UHFFFAOYSA-N
XLogP15.16
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.00
LogP ≤ 515.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[3-[4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-2-pyridinyl]phenyl]carbazole
CID 130452824
9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59217021
9-[3-[5,8-diphenyl-11-(4-phenylphenyl)-1-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]carbazole
CID 70669817
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
3-[9-[4-[3-[4-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 154590573
3-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]-9-[3-[9-[4-[4-[9-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-9-yl]phenyl]phenyl]carbazol-3-yl]phenyl]carbazole
CID 146517009
9-phenyl-3-[4-[7'-[4-(9-phenylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236537
3-[9-[3-[3-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 154590619
9-[2-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]carbazole
CID 88887022
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[4-[3-[9-[3-(4-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590364
9-[3-[2-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-4-pyridinyl]phenyl]carbazole
CID 130355607
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[9-[4-(3-phenylphenyl)phenyl]fluoren-9-yl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590519

Frequently Asked Questions

What is the IUPAC name of CID 121385110?
The IUPAC name of CID 121385110 (CID 121385110) is not available.
What is the SMILES notation for CID 121385110?
The canonical SMILES for CID 121385110 is c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2ccccc2C32c3ccccc3-c3ccccc32)c1.
What is the InChIKey of CID 121385110?
The InChIKey is TWIZCVVMFWBILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N/c1-7-27-51-45(21-1)46-22-2-8-28-52(46)61(51)55-31-11-12-32-56(55)62(53-29-9-3-23-47(53)48-24-4-10-30-54(48)62)58-39-43(35-36-57(58)61)41-18-15-17-40(37-41)42-19-16-20-44(38-42)63-59-33-13-5-25-49(59)50-26-6-14-34-60(50)63/h1-39H.
What are the key properties of CID 121385110?
CID 121385110 has a molecular weight of 798.00 g/mol, XLogP of 15.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 121385110 is sourced from PubChem (CID 121385110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).