CID 134551786

C54H33N — CID 134551786

IUPAC—
SMILESc1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H33N/c1-2-17-35(18-3-1)55-51-33-50-49(32-42(51)41-31-30-34-16-4-5-19-36(34)52(41)55)53(43-24-10-6-20-37(43)38-21-7-11-25-44(38)53)47-28-14-15-29-48(47)54(50)45-26-12-8-22-39(45)40-23-9-13-27-46(40)54/h1-33H
InChIKeyXOGRPHGQRBAMDD-UHFFFAOYSA-N
MW695.87 g/mol
LogP12.98
Rot. Bonds1

About CID 134551786

CID 134551786 (PubChem CID 134551786) has the molecular formula C54H33N and a molecular weight of 695.87 g/mol.

Molecular Properties

Compound NameCID 134551786
PubChem CID134551786
Molecular FormulaC54H33N
Molecular Weight695.87 g/mol
Exact Mass695.26
IUPAC Name—
SMILESc1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C54H33N/c1-2-17-35(18-3-1)55-51-33-50-49(32-42(51)41-31-30-34-16-4-5-19-36(34)52(41)55)53(43-24-10-6-20-37(43)38-21-7-11-25-44(38)53)47-28-14-15-29-48(47)54(50)45-26-12-8-22-39(45)40-23-9-13-27-46(40)54/h1-33H
InChIKeyXOGRPHGQRBAMDD-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 134551819
CID 134551819
12-naphthalen-2-ylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene-22,20'-pentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene]
CID 134555374
CID 157397756
CID 157397756
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168781399
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
CID 156559691
N-(4-naphthalen-2-ylphenyl)-2-phenyl-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 168781333
11-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170038206
N-(4-phenanthren-3-ylphenyl)-N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 168781886
7,7,10,10-tetramethyl-14-phenyl-18-(4-phenylphenyl)-14,18-diazaheptacyclo[15.11.0.03,15.04,13.06,11.019,28.020,25]octacosa-1,3(15),4,6(11),12,16,19(28),20,22,24,26-undecaene
CID 177086675
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 168781540
5,5'-bis(9-phenylcarbazol-2-yl)-7,7'-spirobi[indeno[2,1-b]carbazole]
CID 90337261

Frequently Asked Questions

What is the IUPAC name of CID 134551786?
The IUPAC name of CID 134551786 (CID 134551786) is not available.
What is the SMILES notation for CID 134551786?
The canonical SMILES for CID 134551786 is c1ccc(-n2c3cc4c(cc3c3ccc5ccccc5c32)C2(c3ccccc3-c3ccccc32)c2ccccc2C42c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of CID 134551786?
The InChIKey is XOGRPHGQRBAMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N/c1-2-17-35(18-3-1)55-51-33-50-49(32-42(51)41-31-30-34-16-4-5-19-36(34)52(41)55)53(43-24-10-6-20-37(43)38-21-7-11-25-44(38)53)47-28-14-15-29-48(47)54(50)45-26-12-8-22-39(45)40-23-9-13-27-46(40)54/h1-33H.
What are the key properties of CID 134551786?
CID 134551786 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 134551786 is sourced from PubChem (CID 134551786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).