N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine

C51H43NO — CID 170406270

IUPACN-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine
SMILESCC1(C)C2=CC=C(CN(c3ccc4ccccc4c3)C3C=CC4=C(C3)C(C)(C)c3c4c4oc5ccccc5c4c4ccccc34)CC2c2ccccc21
InChIInChI=1S/C51H43NO/c1-50(2)42-19-11-9-15-36(42)41-27-31(21-26-43(41)50)30-52(34-23-22-32-13-5-6-14-33(32)28-34)35-24-25-39-44(29-35)51(3,4)48-38-17-8-7-16-37(38)46-40-18-10-12-20-45(40)53-49(46)47(39)48/h5-26,28,35,41H,27,29-30H2,1-4H3
InChIKeyFZIWGJCTTMRJFF-UHFFFAOYSA-N
MW685.91 g/mol
LogP13.10
Rot. Bonds4

About N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine

N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine (PubChem CID 170406270) has the molecular formula C51H43NO and a molecular weight of 685.91 g/mol. Its IUPAC name is N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine.

Molecular Properties

Compound NameN-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine
PubChem CID170406270
Molecular FormulaC51H43NO
Molecular Weight685.91 g/mol
Exact Mass685.33
IUPAC NameN-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine
SMILESCC1(C)C2=CC=C(CN(c3ccc4ccccc4c3)C3C=CC4=C(C3)C(C)(C)c3c4c4oc5ccccc5c4c4ccccc34)CC2c2ccccc21
InChIInChI=1S/C51H43NO/c1-50(2)42-19-11-9-15-36(42)41-27-31(21-26-43(41)50)30-52(34-23-22-32-13-5-6-14-33(32)28-34)35-24-25-39-44(29-35)51(3,4)48-38-17-8-7-16-37(38)46-40-18-10-12-20-45(40)53-49(46)47(39)48/h5-26,28,35,41H,27,29-30H2,1-4H3
InChIKeyFZIWGJCTTMRJFF-UHFFFAOYSA-N
XLogP13.10
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.91
LogP ≤ 513.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine with MolForge

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Related Compounds

9,9-dimethyl-6-[4-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-1-yl]-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaene
CID 130213201
N-dibenzofuran-4-yl-N,9,9-trimethyl-4-naphthalen-1-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21-undecaen-20-amine
CID 170406735
9,9-dimethyl-N,N-bis(4-phenylphenyl)-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406222
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
2-(9,9-dimethyl-21-hexacyclo[15.8.0.02,10.03,8.011,16.018,23]pentacosa-1(17),2(10),3,5,7,11,13,15,18(23),19,21,24-dodecaenyl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine;2-(3-oxahexacyclo[15.8.0.02,10.04,9.011,16.018,23]pentacosa-1(17),2(10),4,6,8,11,13,15,18(23),19,21,24-dodecaen-21-yl)-4-phenanthren-2-yl-6-phenyl-1,3,5-triazine
CID 165024339
4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022297
7,7-dimethyl-5-(10-naphthalen-1-ylanthracen-9-yl)fluoreno[4,3-b][1]benzofuran
CID 122415730
18,18-dimethyl-9-oxahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 130211729
N-[14,14-dimethyl-11-(2,4,6-trimethylphenyl)-9-oxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl]-15,15,25,25-tetramethyl-N-(4-methylphenyl)-10-oxaheptacyclo[14.11.0.02,14.03,11.04,9.018,26.019,24]heptacosa-1(27),2(14),3(11),4,6,8,12,16,18(26),19(24),20-undecaen-22-amine
CID 167112678
9,9-dimethyl-N,5-dinaphthalen-2-yl-N-phenyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18(23),19,21-undecaen-22-amine
CID 170406781
N-(25,25-dimethyl-22-hexacyclo[12.11.0.02,7.08,13.015,24.016,21]pentacosa-1(14),2,4,6,8,10,12,15(24),16,18,20,22-dodecaenyl)-N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5(10),6,8,14,16,18,20-decaenyl)dibenzofuran-4-amine
CID 121431509
N-dibenzothiophen-2-yl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,6,11,13,15,18,20,22-undecaen-5-amine
CID 170406229

Frequently Asked Questions

What is the IUPAC name of N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine?
The IUPAC name of N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine (CID 170406270) is N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine.
What is the SMILES notation for N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine?
The canonical SMILES for N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine is CC1(C)C2=CC=C(CN(c3ccc4ccccc4c3)C3C=CC4=C(C3)C(C)(C)c3c4c4oc5ccccc5c4c4ccccc34)CC2c2ccccc21.
What is the InChIKey of N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine?
The InChIKey is FZIWGJCTTMRJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H43NO/c1-50(2)42-19-11-9-15-36(42)41-27-31(21-26-43(41)50)30-52(34-23-22-32-13-5-6-14-33(32)28-34)35-24-25-39-44(29-35)51(3,4)48-38-17-8-7-16-37(38)46-40-18-10-12-20-45(40)53-49(46)47(39)48/h5-26,28,35,41H,27,29-30H2,1-4H3.
What are the key properties of N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine?
N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine has a molecular weight of 685.91 g/mol, XLogP of 13.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(9,9-dimethyl-4,4a-dihydrofluoren-3-yl)methyl]-9,9-dimethyl-N-naphthalen-2-yl-24-oxahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3(8),4,11,13,15,18,20,22-decaen-6-amine is sourced from PubChem (CID 170406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).