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

C51H36N2O — CID 118405419

IUPAC9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-17-9-6-14-39(43)40-29-28-38(32-44(40)51)52(35-22-20-34(21-23-35)33-12-4-3-5-13-33)36-24-26-37(27-25-36)53-45-18-10-7-15-41(45)49-46(53)30-31-48-50(49)42-16-8-11-19-47(42)54-48/h3-32H,1-2H3
InChIKeyOKRWQOLWCWHWTC-UHFFFAOYSA-N
MW692.86 g/mol
LogP14.13
Rot. Bonds5

About 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

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 (PubChem CID 118405419) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID118405419
Molecular FormulaC51H36N2O
Molecular Weight692.86 g/mol
Exact Mass692.28
IUPAC Name9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C51H36N2O/c1-51(2)43-17-9-6-14-39(43)40-29-28-38(32-44(40)51)52(35-22-20-34(21-23-35)33-12-4-3-5-13-33)36-24-26-37(27-25-36)53-45-18-10-7-15-41(45)49-46(53)30-31-48-50(49)42-16-8-11-19-47(42)54-48/h3-32H,1-2H3
InChIKeyOKRWQOLWCWHWTC-UHFFFAOYSA-N
XLogP14.13
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.86
LogP ≤ 514.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 118405677
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
N-[4-([1]benzofuro[3,2-c]carbazol-5-yl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405432
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-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;N-[4-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;9,9-dimethyl-N,7-diphenyl-N-[4-[4-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]phenyl]fluoren-2-amine
CID 158113731
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
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-[4-([1]benzofuro[3,2-a]carbazol-12-yl)phenyl]phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118405433

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5c6c(ccc54)oc4ccccc46)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is OKRWQOLWCWHWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)43-17-9-6-14-39(43)40-29-28-38(32-44(40)51)52(35-22-20-34(21-23-35)33-12-4-3-5-13-33)36-24-26-37(27-25-36)53-45-18-10-7-15-41(45)49-46(53)30-31-48-50(49)42-16-8-11-19-47(42)54-48/h3-32H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 692.86 g/mol, XLogP of 14.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 118405419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).