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

C45H30N2O2 — CID 162486877

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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)ccc21
InChIInChI=1S/C45H30N2O2/c1-45(2)36-14-7-6-12-32(36)34-26-31(22-23-37(34)45)46(29-10-4-3-5-11-29)30-20-18-27(19-21-30)28-24-35-33-13-8-15-38-42(33)47-43(35)41(25-28)49-40-17-9-16-39(48-38)44(40)47/h3-26H,1-2H3
InChIKeyGDPJLJZASBSHSS-UHFFFAOYSA-N
MW630.75 g/mol
LogP12.44
Rot. Bonds4

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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-phenylfluoren-3-amine (PubChem CID 162486877) has the molecular formula C45H30N2O2 and a molecular weight of 630.75 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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
PubChem CID162486877
Molecular FormulaC45H30N2O2
Molecular Weight630.75 g/mol
Exact Mass630.23
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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)ccc21
InChIInChI=1S/C45H30N2O2/c1-45(2)36-14-7-6-12-32(36)34-26-31(22-23-37(34)45)46(29-10-4-3-5-11-29)30-20-18-27(19-21-30)28-24-35-33-13-8-15-38-42(33)47-43(35)41(25-28)49-40-17-9-16-39(48-38)44(40)47/h3-26H,1-2H3
InChIKeyGDPJLJZASBSHSS-UHFFFAOYSA-N
XLogP12.44
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.75
LogP ≤ 512.44
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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-(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-(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-[11-[(1Z)-buta-1,3-dienyl]-8,12-dioxa-1-azapentacyclo[8.8.0.02,7.03,17.013,18]octadeca-2,4,6,10,13,15,17-heptaen-5-yl]phenyl]-N-phenyldibenzofuran-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-5-yl)phenyl]-9,9-dimethyl-N-(4-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-(4-phenylphenyl)fluoren-3-amine
CID 163746942
N,N-diphenyl-4-(8,8,14,14-tetramethyl-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)aniline
CID 70893138
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-2-yl-8,14-dioxa-1-azahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaen-4-amine
CID 162486939
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-(4-phenylphenyl)-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855781
12-N-(9,9-dimethylfluoren-3-yl)-4-N,4-N-diphenyl-12-N-[4-(4-phenylphenyl)phenyl]-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene-4,12-diamine
CID 168855950
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
9,9-dimethyl-N-phenyl-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-xanthene]-3'-ylphenyl)fluoren-2-amine
CID 135140368
9,9-dimethyl-N,N-diphenylfluoren-3-amine
CID 126704960
N,N-diphenyl-4-(8,8,14,14-tetramethyl-17-phenyl-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)aniline
CID 70886158
N-[4-(23,23-dimethyl-5-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaenyl)phenyl]-9,9-dimethyl-N-(3-phenylphenyl)fluoren-3-amine
CID 122493599

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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine (CID 162486877) 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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is CC1(C)c2ccccc2-c2cc(N(c3ccccc3)c3ccc(-c4cc5c6c(c4)c4cccc7c4n6-c4c(cccc4O5)O7)cc3)ccc21.
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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine?
The InChIKey is GDPJLJZASBSHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H30N2O2/c1-45(2)36-14-7-6-12-32(36)34-26-31(22-23-37(34)45)46(29-10-4-3-5-11-29)30-20-18-27(19-21-30)28-24-35-33-13-8-15-38-42(33)47-43(35)41(25-28)49-40-17-9-16-39(48-38)44(40)47/h3-26H,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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-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-phenylfluoren-3-amine has a molecular weight of 630.75 g/mol, XLogP of 12.44, 4 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-5-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-3-amine is sourced from PubChem (CID 162486877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).