N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine

C51H34N2O2 — CID 162486931

IUPACN-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c6cccc7c6n6c5c4Oc4cccc(c4-6)O7)cc3)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C51H34N2O2/c1-51(2)40-19-8-6-16-36(40)37-17-10-21-42(46(37)51)52(41-20-9-7-15-34(41)31-13-4-3-5-14-31)33-27-25-32(26-28-33)35-29-30-39-38-18-11-22-43-47(38)53-48(39)50(35)55-45-24-12-23-44(54-43)49(45)53/h3-30H,1-2H3
InChIKeySURWYSMEJNRMQI-UHFFFAOYSA-N
MW706.85 g/mol
LogP14.11
Rot. Bonds5

About N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine

N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine (PubChem CID 162486931) has the molecular formula C51H34N2O2 and a molecular weight of 706.85 g/mol. Its IUPAC name is N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine.

Molecular Properties

Compound NameN-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
PubChem CID162486931
Molecular FormulaC51H34N2O2
Molecular Weight706.85 g/mol
Exact Mass706.26
IUPAC NameN-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine
SMILESCC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c6cccc7c6n6c5c4Oc4cccc(c4-6)O7)cc3)c3ccccc3-c3ccccc3)c21
InChIInChI=1S/C51H34N2O2/c1-51(2)40-19-8-6-16-36(40)37-17-10-21-42(46(37)51)52(41-20-9-7-15-34(41)31-13-4-3-5-14-31)33-27-25-32(26-28-33)35-29-30-39-38-18-11-22-43-47(38)53-48(39)50(35)55-45-24-12-23-44(54-43)49(45)53/h3-30H,1-2H3
InChIKeySURWYSMEJNRMQI-UHFFFAOYSA-N
XLogP14.11
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.85
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine with MolForge

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Related Compounds

N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-4-amine;N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-1-amine
CID 163517701
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-3-amine
CID 162486886
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
CID 162486877
N-[3-(10,10-dimethyl-14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-19-yl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylaniline
CID 147861755
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 167285354
N-(2-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-4'-ylphenyl)naphthalen-1-amine
CID 167176862
N-(9,9-dimethylfluoren-1-yl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069590
12,12-dimethyl-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)fluoreno[1,2-b][1]benzofuran-10-amine
CID 134392980
N-[4-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-5-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 155428212
N-(2-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-1-amine
CID 167325077
N-[4-(2-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-1-amine
CID 168789356
9,9-dimethyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177080212

Frequently Asked Questions

What is the IUPAC name of N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine?
The IUPAC name of N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine (CID 162486931) is N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine.
What is the SMILES notation for N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine?
The canonical SMILES for N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine is CC1(C)c2ccccc2-c2cccc(N(c3ccc(-c4ccc5c6cccc7c6n6c5c4Oc4cccc(c4-6)O7)cc3)c3ccccc3-c3ccccc3)c21.
What is the InChIKey of N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine?
The InChIKey is SURWYSMEJNRMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N2O2/c1-51(2)40-19-8-6-16-36(40)37-17-10-21-42(46(37)51)52(41-20-9-7-15-34(41)31-13-4-3-5-14-31)33-27-25-32(26-28-33)35-29-30-39-38-18-11-22-43-47(38)53-48(39)50(35)55-45-24-12-23-44(54-43)49(45)53/h3-30H,1-2H3.
What are the key properties of N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine?
N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine has a molecular weight of 706.85 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-6-yl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-1-amine is sourced from PubChem (CID 162486931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).