N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine

C48H37N — CID 121431565

IUPACN-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccccc4c4ccccc34)C5(C)C)cc21
InChIInChI=1S/C48H37N/c1-47(2)42-21-13-12-18-37(42)38-27-24-33(29-43(38)47)49(31-14-6-5-7-15-31)32-23-26-34-30(28-32)22-25-41-44-39-19-10-8-16-35(39)36-17-9-11-20-40(36)46(44)48(3,4)45(34)41/h5-29H,1-4H3
InChIKeyFKAVQFUQXXOVCD-UHFFFAOYSA-N
MW627.83 g/mol
LogP13.23
Rot. Bonds3

About N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine

N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine (PubChem CID 121431565) has the molecular formula C48H37N and a molecular weight of 627.83 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
PubChem CID121431565
Molecular FormulaC48H37N
Molecular Weight627.83 g/mol
Exact Mass627.29
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccccc4c4ccccc34)C5(C)C)cc21
InChIInChI=1S/C48H37N/c1-47(2)42-21-13-12-18-37(42)38-27-24-33(29-43(38)47)49(31-14-6-5-7-15-31)32-23-26-34-30(28-32)22-25-41-44-39-19-10-8-16-35(39)36-17-9-11-20-40(36)46(44)48(3,4)45(34)41/h5-29H,1-4H3
InChIKeyFKAVQFUQXXOVCD-UHFFFAOYSA-N
XLogP13.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.83
LogP ≤ 513.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine with MolForge

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Related Compounds

25,25-dimethyl-N-phenyl-N-(3,4,5-trimethylphenyl)hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431553
25,25-dimethyl-20-N-(3-methylphenyl)-5-N,5-N,20-N-triphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121432675
5-N,20-N-bis(4-tert-butylphenyl)-25,25-dimethyl-5-N,20-N-diphenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431201
N-(2-fluorophenyl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine
CID 121431582
N-(21,21-dimethyl-5-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaenyl)-12,12-dimethyl-N-phenylpentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-7-amine
CID 130290704
N,N-bis(9,9-dimethylfluoren-2-yl)chrysen-2-amine
CID 170139827
21,21-dimethyl-N,N-diphenylpentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 155298572
N-(25,25-dimethyl-20-hexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaenyl)-N-phenyldibenzofuran-2-amine
CID 121431585
3-N-(9,9-dimethylfluoren-2-yl)-1-N-(10,10-dimethyl-17-pentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14(19),15,17,20-decaenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 171052166
N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)chrysen-2-amine
CID 170139798
5-N,5-N,20-N,20-N-tetrakis(4-tert-butylphenyl)-25,25-dimethylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2(7),3,5,8,10,12,15(24),16,18(23),19,21-dodecaene-5,20-diamine
CID 121431204
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine (CID 121431565) is N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c5c(ccc4c3)-c3c(c4ccccc4c4ccccc34)C5(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine?
The InChIKey is FKAVQFUQXXOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H37N/c1-47(2)42-21-13-12-18-37(42)38-27-24-33(29-43(38)47)49(31-14-6-5-7-15-31)32-23-26-34-30(28-32)22-25-41-44-39-19-10-8-16-35(39)36-17-9-11-20-40(36)46(44)48(3,4)45(34)41/h5-29H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine?
N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine has a molecular weight of 627.83 g/mol, XLogP of 13.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-25,25-dimethyl-N-phenylhexacyclo[12.11.0.02,7.08,13.015,24.018,23]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18(23),19,21-dodecaen-20-amine is sourced from PubChem (CID 121431565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).