CID 134551673

C54H33N — CID 134551673

IUPAC—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21
InChIInChI=1S/C54H33N/c1-2-16-35-31-36(30-29-34(35)15-1)55-51-28-14-6-20-40(51)42-32-41-39-19-5-9-23-45(39)54(50(41)33-52(42)55)48-26-12-10-24-46(48)53(47-25-11-13-27-49(47)54)43-21-7-3-17-37(43)38-18-4-8-22-44(38)53/h1-33H
InChIKeyXKIJMGQDAWBGIO-UHFFFAOYSA-N
MW695.87 g/mol
LogP12.98
Rot. Bonds1

About CID 134551673

CID 134551673 (PubChem CID 134551673) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol.

Molecular Properties

Compound NameCID 134551673
PubChem CID134551673
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name—
SMILESc1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21
InChIInChI=1S/C54H33N/c1-2-16-35-31-36(30-29-34(35)15-1)55-51-28-14-6-20-40(51)42-32-41-39-19-5-9-23-45(39)54(50(41)33-52(42)55)48-26-12-10-24-46(48)53(47-25-11-13-27-49(47)54)43-21-7-3-17-37(43)38-18-4-8-22-44(38)53/h1-33H
InChIKeyXKIJMGQDAWBGIO-UHFFFAOYSA-N
XLogP12.98
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.87
LogP ≤ 512.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 134551803
CID 134551803
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261
12,12-dimethyl-16-naphthalen-2-yl-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 122464085
9-naphthalen-2-yl-3-[(E)-2-[7'-[(E)-2-(9-naphthalen-2-ylcarbazol-3-yl)ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]carbazole
CID 59236373
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
23,37-bis(9-phenylcarbazol-2-yl)spiro[23,37-diazanonacyclo[26.11.0.02,7.08,13.014,26.016,24.017,22.030,38.031,36]nonatriaconta-1(28),2,4,6,8,10,12,14(26),15,17,19,21,24,29,31,33,35,38-octadecaene-27,9'-fluorene]
CID 134555366
CID 134551753
CID 134551753
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
CID 134551686
CID 134551686
7-phenyl-5-(9,9'-spirobi[fluorene]-2-yl)indolo[2,3-b]carbazole
CID 122595613
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759

Frequently Asked Questions

What is the IUPAC name of CID 134551673?
The IUPAC name of CID 134551673 (CID 134551673) is not available.
What is the SMILES notation for CID 134551673?
The canonical SMILES for CID 134551673 is c1ccc2c(c1)-c1ccccc1C21c2ccccc2C2(c3ccccc3-c3cc4c5ccccc5n(-c5ccc6ccccc6c5)c4cc32)c2ccccc21.
What is the InChIKey of CID 134551673?
The InChIKey is XKIJMGQDAWBGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-2-16-35-31-36(30-29-34(35)15-1)55-51-28-14-6-20-40(51)42-32-41-39-19-5-9-23-45(39)54(50(41)33-52(42)55)48-26-12-10-24-46(48)53(47-25-11-13-27-49(47)54)43-21-7-3-17-37(43)38-18-4-8-22-44(38)53/h1-33H.
What are the key properties of CID 134551673?
CID 134551673 has a molecular weight of 695.87 g/mol, XLogP of 12.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134551673 is sourced from PubChem (CID 134551673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).