N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine

C45H39NO — CID 163563984

IUPACN-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21
InChIInChI=1S/C45H39NO/c1-43(2)36-18-12-10-16-31(36)32-22-20-29(26-37(32)43)46(28-14-8-7-9-15-28)30-21-23-33-34-24-25-40-41(35-17-11-13-19-39(35)47-40)42(34)45(5,6)44(3,4)38(33)27-30/h7-27H,1-6H3
InChIKeyQRSVDKFAUJVVQN-UHFFFAOYSA-N
MW609.81 g/mol
LogP12.60
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine

N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine (PubChem CID 163563984) has the molecular formula C45H39NO and a molecular weight of 609.81 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
PubChem CID163563984
Molecular FormulaC45H39NO
Molecular Weight609.81 g/mol
Exact Mass609.30
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21
InChIInChI=1S/C45H39NO/c1-43(2)36-18-12-10-16-31(36)32-22-20-29(26-37(32)43)46(28-14-8-7-9-15-28)30-21-23-33-34-24-25-40-41(35-17-11-13-19-39(35)47-40)42(34)45(5,6)44(3,4)38(33)27-30/h7-27H,1-6H3
InChIKeyQRSVDKFAUJVVQN-UHFFFAOYSA-N
XLogP12.60
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.81
LogP ≤ 512.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine with MolForge

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Related Compounds

1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
N-dibenzothiophen-2-yl-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine;N-phenyl-N-(20,20,21,21-tetramethyl-9-thiapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-yl)dibenzofuran-3-amine
CID 163871161
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-[1-(2-phenylphenyl)dibenzofuran-2-yl]phenyl]fluoren-2-amine
CID 177281131
9,9-dimethyl-N-[3-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-6-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 170667736
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 67964274
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-yldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 157179912
N-(4-dibenzofuran-1-ylphenyl)-9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 170542002
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 70808823
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167121601
9,9-dimethyl-N-[4-(22-oxahexacyclo[12.11.0.02,7.08,13.015,23.016,21]pentacosa-1(14),2(7),3,5,8,10,12,15(23),16,18,20,24-dodecaen-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170667922
6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170535825

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine (CID 163563984) is N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C(C)(C)C(C)(C)c3c-4ccc4oc5ccccc5c34)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine?
The InChIKey is QRSVDKFAUJVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H39NO/c1-43(2)36-18-12-10-16-31(36)32-22-20-29(26-37(32)43)46(28-14-8-7-9-15-28)30-21-23-33-34-24-25-40-41(35-17-11-13-19-39(35)47-40)42(34)45(5,6)44(3,4)38(33)27-30/h7-27H,1-6H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine?
N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine has a molecular weight of 609.81 g/mol, XLogP of 12.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-20,20,21,21-tetramethyl-N-phenyl-9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-17-amine is sourced from PubChem (CID 163563984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).