14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

C54H48N2 — CID 88996949

IUPAC14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
SMILESCC1CC=CC2=C1C(C)(C)c1cc(Nc3c4ccccc4c(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)ccc12
InChIInChI=1S/C54H48N2/c1-31-15-14-20-38-37-26-24-33(28-47(37)54(6,7)49(31)38)55-50-39-18-8-9-19-40(39)51(43-30-48-41(29-42(43)50)35-17-11-13-22-45(35)53(48,4)5)56-32-23-25-36-34-16-10-12-21-44(34)52(2,3)46(36)27-32/h8-14,16-31,55-56H,15H2,1-7H3
InChIKeyPMIMYLSRYDMHMR-UHFFFAOYSA-N
MW724.99 g/mol
LogP14.73
Rot. Bonds4

About 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine

14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (PubChem CID 88996949) has the molecular formula C54H48N2 and a molecular weight of 724.99 g/mol. Its IUPAC name is 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.

Molecular Properties

Compound Name14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
PubChem CID88996949
Molecular FormulaC54H48N2
Molecular Weight724.99 g/mol
Exact Mass724.38
IUPAC Name14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
SMILESCC1CC=CC2=C1C(C)(C)c1cc(Nc3c4ccccc4c(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)ccc12
InChIInChI=1S/C54H48N2/c1-31-15-14-20-38-37-26-24-33(28-47(37)54(6,7)49(31)38)55-50-39-18-8-9-19-40(39)51(43-30-48-41(29-42(43)50)35-17-11-13-22-45(35)53(48,4)5)56-32-23-25-36-34-16-10-12-21-44(34)52(2,3)46(36)27-32/h8-14,16-31,55-56H,15H2,1-7H3
InChIKeyPMIMYLSRYDMHMR-UHFFFAOYSA-N
XLogP14.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.99
LogP ≤ 514.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine with MolForge

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Related Compounds

1,9,9-trimethyl-1,2-dihydrofluorene
CID 142481302
10,10-dimethyl-14-N,21-N-bis(4-phenylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88997003
N-(9,9-dimethylfluoren-2-yl)-9,9,10,10-tetramethylanthracen-2-amine
CID 166647046
9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58453890
N-(4-ethenylphenyl)-9,9-dimethylfluoren-2-amine
CID 163509163
14-N-(1,2-dihydroquinolin-6-yl)-10,10-dimethyl-14-N,21-N-bis(4-propan-2-ylphenyl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine
CID 88996951
9,9-dimethyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]fluoren-2-amine
CID 134528915
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 160556555
N-cyclohexa-1,3-dien-1-yl-9,9-dimethylfluoren-2-amine
CID 135162890
9,9-dimethyl-N-(4-naphthalen-1-ylphenyl)fluoren-2-amine
CID 70891334
N-(9,9-dimethylfluoren-2-yl)-6,6-dimethylindeno[2,1-b][1]benzofuran-8-amine
CID 144856795
N-(9,9-dimethylfluoren-3-yl)-12,12,22,22-tetramethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaen-19-amine
CID 118360806

Frequently Asked Questions

What is the IUPAC name of 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The IUPAC name of 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine (CID 88996949) is 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine.
What is the SMILES notation for 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The canonical SMILES for 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is CC1CC=CC2=C1C(C)(C)c1cc(Nc3c4ccccc4c(Nc4ccc5c(c4)C(C)(C)c4ccccc4-5)c4cc5c(cc34)-c3ccccc3C5(C)C)ccc12.
What is the InChIKey of 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
The InChIKey is PMIMYLSRYDMHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N2/c1-31-15-14-20-38-37-26-24-33(28-47(37)54(6,7)49(31)38)55-50-39-18-8-9-19-40(39)51(43-30-48-41(29-42(43)50)35-17-11-13-22-45(35)53(48,4)5)56-32-23-25-36-34-16-10-12-21-44(34)52(2,3)46(36)27-32/h8-14,16-31,55-56H,15H2,1-7H3.
What are the key properties of 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine?
14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine has a molecular weight of 724.99 g/mol, XLogP of 14.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-N-(9,9-dimethylfluoren-2-yl)-10,10-dimethyl-21-N-(8,9,9-trimethyl-7,8-dihydrofluoren-2-yl)pentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaene-14,21-diamine is sourced from PubChem (CID 88996949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).