7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine

C45H30N2 — CID 145353443

IUPAC7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine
SMILESC/C=C\c1ccc2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)nc2c1N
InChIInChI=1S/C45H30N2/c1-2-9-28-16-17-29-21-25-40(47-44(29)43(28)46)31-20-22-33-30(26-31)19-24-37-36-23-18-27-10-3-4-11-32(27)41(36)45(42(33)37)38-14-7-5-12-34(38)35-13-6-8-15-39(35)45/h2-26H,46H2,1H3/b9-2-
InChIKeyGXSJDWNILCOEDS-MBXJOHMKSA-N
MW598.75 g/mol
LogP11.17
Rot. Bonds2

About 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine

7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine (PubChem CID 145353443) has the molecular formula C45H30N2 and a molecular weight of 598.75 g/mol. Its IUPAC name is 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine.

Molecular Properties

Compound Name7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine
PubChem CID145353443
Molecular FormulaC45H30N2
Molecular Weight598.75 g/mol
Exact Mass598.24
IUPAC Name7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine
SMILESC/C=C\c1ccc2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)nc2c1N
InChIInChI=1S/C45H30N2/c1-2-9-28-16-17-29-21-25-40(47-44(29)43(28)46)31-20-22-33-30(26-31)19-24-37-36-23-18-27-10-3-4-11-32(27)41(36)45(42(33)37)38-14-7-5-12-34(38)35-13-6-8-15-39(35)45/h2-26H,46H2,1H3/b9-2-
InChIKeyGXSJDWNILCOEDS-MBXJOHMKSA-N
XLogP11.17
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 511.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine with MolForge

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Related Compounds

CID 146184417
CID 146184417
7'-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]
CID 140962324
2-pyridin-2-yl-6-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)pyridine;2-pyridin-2-yl-6-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylpyridine;2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-yl-1,10-phenanthroline;2-(4-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14(19),15,17,20-decaene]-17'-ylphenyl)-1,10-phenanthroline
CID 158905311
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465679
1-methyl-2-(3-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylphenyl)benzimidazole
CID 137492695
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylbenzo[f]quinoxaline;2-[4-(11,11-diphenylbenzo[a]fluoren-3-yl)phenyl]-3-phenylquinoxaline
CID 157197876
N,N-bis(4-methylphenyl)spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-amine
CID 137493209
2-(11,11-diphenylbenzo[a]fluoren-3-yl)-4-naphthalen-1-yl-6-phenylpyrimidine
CID 155465809
4,6-diphenyl-2-spiro[benzo[a]fluorene-11,9'-fluorene]-2'-ylpyrimidine
CID 155186274
3-phenanthren-9-yl-11,11-diphenylbenzo[a]fluorene
CID 166034552
2-(11,11-dimethylbenzo[a]fluoren-3-yl)-4,6-dinaphthalen-1-ylpyrimidine
CID 155465661

Frequently Asked Questions

What is the IUPAC name of 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine?
The IUPAC name of 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine (CID 145353443) is 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine.
What is the SMILES notation for 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine?
The canonical SMILES for 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine is C/C=C\c1ccc2ccc(-c3ccc4c5c(ccc4c3)-c3ccc4ccccc4c3C53c4ccccc4-c4ccccc43)nc2c1N.
What is the InChIKey of 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine?
The InChIKey is GXSJDWNILCOEDS-MBXJOHMKSA-N. The full InChI is InChI=1S/C45H30N2/c1-2-9-28-16-17-29-21-25-40(47-44(29)43(28)46)31-20-22-33-30(26-31)19-24-37-36-23-18-27-10-3-4-11-32(27)41(36)45(42(33)37)38-14-7-5-12-34(38)35-13-6-8-15-39(35)45/h2-26H,46H2,1H3/b9-2-.
What are the key properties of 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine?
7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine has a molecular weight of 598.75 g/mol, XLogP of 11.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(Z)-prop-1-enyl]-2-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaene]-7'-ylquinolin-8-amine is sourced from PubChem (CID 145353443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).