N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine

C59H40N2O2 — CID 118405644

IUPACN-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc21
InChIInChI=1S/C59H40N2O2/c1-59(2)49-15-7-4-12-45(49)46-32-31-44(36-50(46)59)60(42-29-23-39(24-30-42)56-35-40-11-3-9-17-53(40)62-56)41-25-19-37(20-26-41)38-21-27-43(28-22-38)61-51-16-8-5-13-47(51)57-52(61)33-34-55-58(57)48-14-6-10-18-54(48)63-55/h3-36H,1-2H3
InChIKeyGVGNAGVHQCRRAT-UHFFFAOYSA-N
MW808.98 g/mol
LogP16.54
Rot. Bonds6

About N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine

N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 118405644) has the molecular formula C59H40N2O2 and a molecular weight of 808.98 g/mol. Its IUPAC name is N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID118405644
Molecular FormulaC59H40N2O2
Molecular Weight808.98 g/mol
Exact Mass808.31
IUPAC NameN-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc21
InChIInChI=1S/C59H40N2O2/c1-59(2)49-15-7-4-12-45(49)46-32-31-44(36-50(46)59)60(42-29-23-39(24-30-42)56-35-40-11-3-9-17-53(40)62-56)41-25-19-37(20-26-41)38-21-27-43(28-22-38)61-51-16-8-5-13-47(51)57-52(61)33-34-55-58(57)48-14-6-10-18-54(48)63-55/h3-36H,1-2H3
InChIKeyGVGNAGVHQCRRAT-UHFFFAOYSA-N
XLogP16.54
TPSA34.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.98
LogP ≤ 516.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-[4-([1]benzofuro[3,2-b]carbazol-11-yl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 118405626
9,9-dimethyl-N-[4-(25-oxa-26-azaheptacyclo[20.2.1.14,7.05,24.06,11.012,17.018,23]hexacosa-1(24),2,4,6(11),7,9,12,14,16,18(23),19,21-dodecaen-26-yl)phenyl]-N-phenylfluoren-2-amine
CID 163811679
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[8-(9-phenylcarbazol-4-yl)dibenzofuran-1-yl]phenyl]fluoren-2-amine
CID 138577627
N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 159673731
N-[4-[7-[7-[4-[4-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]anilino]phenyl]-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 139504991
9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline
CID 160841471
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 89213172
N-[4-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoren-2-amine
CID 58510584

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine (CID 118405644) is N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccc(-n5c6ccccc6c6c7c(ccc65)oc5ccccc57)cc4)cc3)c3ccc(-c4cc5ccccc5o4)cc3)cc21.
What is the InChIKey of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is GVGNAGVHQCRRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H40N2O2/c1-59(2)49-15-7-4-12-45(49)46-32-31-44(36-50(46)59)60(42-29-23-39(24-30-42)56-35-40-11-3-9-17-53(40)62-56)41-25-19-37(20-26-41)38-21-27-43(28-22-38)61-51-16-8-5-13-47(51)57-52(61)33-34-55-58(57)48-14-6-10-18-54(48)63-55/h3-36H,1-2H3.
What are the key properties of N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine?
N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 808.98 g/mol, XLogP of 16.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-2-yl)phenyl]-9,9-dimethyl-N-[4-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 118405644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).