ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

C54H46N2O — CID 145354712

IUPACethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESC=Cc1c(/C=C\C)oc2cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c6cccc7c8ccccc8n(c45)c76)cc3)ccc12.CC.CC
InChIInChI=1S/C50H34N2O.2C2H6/c1-3-11-47-37(4-2)40-27-23-32(29-48(40)53-47)31-20-24-35(25-21-31)51(36-26-22-34-28-33-12-5-6-13-38(33)44(34)30-36)46-19-10-17-43-42-16-9-15-41-39-14-7-8-18-45(39)52(49(41)42)50(43)46;2*1-2/h3-27,29-30H,2,28H2,1H3;2*1-2H3/b11-3-;;
InChIKeyGAQYZXTUPPKNJI-APRVNQMFSA-N
MW738.97 g/mol
LogP16.02
Rot. Bonds6

About ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine

ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (PubChem CID 145354712) has the molecular formula C54H46N2O and a molecular weight of 738.97 g/mol. Its IUPAC name is ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.

Molecular Properties

Compound Nameethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
PubChem CID145354712
Molecular FormulaC54H46N2O
Molecular Weight738.97 g/mol
Exact Mass738.36
IUPAC Nameethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
SMILESC=Cc1c(/C=C\C)oc2cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c6cccc7c8ccccc8n(c45)c76)cc3)ccc12.CC.CC
InChIInChI=1S/C50H34N2O.2C2H6/c1-3-11-47-37(4-2)40-27-23-32(29-48(40)53-47)31-20-24-35(25-21-31)51(36-26-22-34-28-33-12-5-6-13-38(33)44(34)30-36)46-19-10-17-43-42-16-9-15-41-39-14-7-8-18-45(39)52(49(41)42)50(43)46;2*1-2/h3-27,29-30H,2,28H2,1H3;2*1-2H3/b11-3-;;
InChIKeyGAQYZXTUPPKNJI-APRVNQMFSA-N
XLogP16.02
TPSA20.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.97
LogP ≤ 516.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine with MolForge

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Related Compounds

N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 145354713
N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine
CID 147271984
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
CID 159318160
3-carbazol-9-yl-N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-4-yl]phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 155398005
N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 145355148
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-7-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 118963228
N-[4-[3-(3-carbazol-9-ylphenyl)phenyl]phenyl]-3-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]-N-(3-phenanthren-9-ylphenyl)aniline
CID 167179629
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)-N-naphthalen-1-yl-N-phenyldibenzofuran-3-amine
CID 118187034
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-yl)phenyl]-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-4,5-dihydro-1-benzofuran-7-yl]-N-(4-phenylphenyl)aniline
CID 145354548
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)-4-(9H-fluoren-3-yl)aniline
CID 118963221
N-phenyl-N-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-9H-fluoren-3-amine
CID 145232650
N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl)phenyl]-N-(4-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)aniline
CID 118963196

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The IUPAC name of ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine (CID 145354712) is ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine.
What is the SMILES notation for ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The canonical SMILES for ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is C=Cc1c(/C=C\C)oc2cc(-c3ccc(N(c4ccc5c(c4)-c4ccccc4C5)c4cccc5c6cccc7c8ccccc8n(c45)c76)cc3)ccc12.CC.CC.
What is the InChIKey of ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
The InChIKey is GAQYZXTUPPKNJI-APRVNQMFSA-N. The full InChI is InChI=1S/C50H34N2O.2C2H6/c1-3-11-47-37(4-2)40-27-23-32(29-48(40)53-47)31-20-24-35(25-21-31)51(36-26-22-34-28-33-12-5-6-13-38(33)44(34)30-36)46-19-10-17-43-42-16-9-15-41-39-14-7-8-18-45(39)52(49(41)42)50(43)46;2*1-2/h3-27,29-30H,2,28H2,1H3;2*1-2H3/b11-3-;;.
What are the key properties of ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine?
ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine has a molecular weight of 738.97 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[3-ethenyl-2-[(Z)-prop-1-enyl]-1-benzofuran-6-yl]phenyl]-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-3-amine is sourced from PubChem (CID 145354712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).