butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole

C54H47NO — CID 142293100

IUPACbutane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
SMILESC/C=C\C.C1=CC2=C(CC1)c1cc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc4c3c3cccc2c13.CCCC
InChIInChI=1S/C46H29NO.C4H10.C4H8/c1-2-10-28(11-3-1)29-12-8-13-32(24-29)47-41-19-7-6-16-35(41)38-25-30(20-22-42(38)47)31-21-23-43-40(26-31)46-37-18-9-17-36-33-14-4-5-15-34(33)39(45(36)37)27-44(46)48-43;2*1-3-4-2/h1-4,6-14,16-27H,5,15H2;3-4H2,1-2H3;3-4H,1-2H3/b;;4-3-
InChIKeyQBAVPQZEJPRERA-PWIAZYAQSA-N
MW725.98 g/mol
LogP16.13
Rot. Bonds4

About butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole

butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole (PubChem CID 142293100) has the molecular formula C54H47NO and a molecular weight of 725.98 g/mol. Its IUPAC name is butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole.

Molecular Properties

Compound Namebutane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
PubChem CID142293100
Molecular FormulaC54H47NO
Molecular Weight725.98 g/mol
Exact Mass725.37
IUPAC Namebutane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole
SMILESC/C=C\C.C1=CC2=C(CC1)c1cc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc4c3c3cccc2c13.CCCC
InChIInChI=1S/C46H29NO.C4H10.C4H8/c1-2-10-28(11-3-1)29-12-8-13-32(24-29)47-41-19-7-6-16-35(41)38-25-30(20-22-42(38)47)31-21-23-43-40(26-31)46-37-18-9-17-36-33-14-4-5-15-34(33)39(45(36)37)27-44(46)48-43;2*1-3-4-2/h1-4,6-14,16-27H,5,15H2;3-4H2,1-2H3;3-4H,1-2H3/b;;4-3-
InChIKeyQBAVPQZEJPRERA-PWIAZYAQSA-N
XLogP16.13
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.98
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole with MolForge

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119
9-(3-phenylphenyl)-3-[9-[4-(4-phenylphenyl)-6-[8-[9-(3-phenylphenyl)carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377446
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(3-carbazol-9-ylphenyl)-9-phenylcarbazole;9-(3-dibenzofuran-2-ylphenyl)carbazole
CID 158532240
9-dibenzothiophen-3-yl-3-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)carbazole;prop-1-ene
CID 142292975
2,3-bis(ethenyl)-1-(4-phenylphenyl)-5-(9-thiahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)indole;buta-1,3-diene;(Z)-but-2-ene;ethane
CID 142292984
3-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168767935
9-[3-(3,5-diphenylphenyl)phenyl]-3-[9-[4-[3-(3,5-diphenylphenyl)phenyl]-6-[8-[9-[3-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]dibenzofuran-1-yl]-1,3,5-triazin-2-yl]dibenzofuran-2-yl]carbazole
CID 167377414
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129265423

Frequently Asked Questions

What is the IUPAC name of butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole?
The IUPAC name of butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole (CID 142293100) is butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole.
What is the SMILES notation for butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole?
The canonical SMILES for butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole is C/C=C\C.C1=CC2=C(CC1)c1cc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5cccc(-c6ccccc6)c5)cc4c3c3cccc2c13.CCCC.
What is the InChIKey of butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole?
The InChIKey is QBAVPQZEJPRERA-PWIAZYAQSA-N. The full InChI is InChI=1S/C46H29NO.C4H10.C4H8/c1-2-10-28(11-3-1)29-12-8-13-32(24-29)47-41-19-7-6-16-35(41)38-25-30(20-22-42(38)47)31-21-23-43-40(26-31)46-37-18-9-17-36-33-14-4-5-15-34(33)39(45(36)37)27-44(46)48-43;2*1-3-4-2/h1-4,6-14,16-27H,5,15H2;3-4H2,1-2H3;3-4H,1-2H3/b;;4-3-.
What are the key properties of butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole?
butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole has a molecular weight of 725.98 g/mol, XLogP of 16.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;(Z)-but-2-ene;3-(9-oxahexacyclo[10.10.1.02,10.03,8.013,18.019,23]tricosa-1(23),2(10),3(8),4,6,11,13(18),16,19,21-decaen-5-yl)-9-(3-phenylphenyl)carbazole is sourced from PubChem (CID 142293100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).